7347
 OpenBabel05082101102D

 23 22  0  0  0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7347

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
147

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjAABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAQAAAAAAAAAAAQCAAMAAAgEAAAAAAAAAABAAAgAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
dimethylcarbamothioyl N,N-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_CAS_NAME>
N,N-dimethylcarbamodithioic acid [dimethylamino(sulfanylidene)methyl] ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
dimethylcarbamothioyl <I>N</I>,<I>N</I>-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_NAME>
dimethylcarbamothioyl N,N-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dimethylcarbamothioyl N,N-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,N-dimethylcarbamodithioic acid dimethylthiocarbamoyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
REQPQFUJGGOFQL-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.7

>  <PUBCHEM_EXACT_MASS>
208.016262

>  <PUBCHEM_MOLECULAR_FORMULA>
C6H12N2S3

>  <PUBCHEM_MOLECULAR_WEIGHT>
208.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=S)SC(=S)N(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C(=S)SC(=S)N(C)C

>  <PUBCHEM_CACTVS_TPSA>
96

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.016262

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
