17 17  0  0  0  0  0  0  0  0999 V2000
   35.4082  -24.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4082  -26.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1884  -27.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9758  -26.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9758  -24.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1884  -24.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7677  -24.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5613  -24.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3477  -24.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1343  -25.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9208  -24.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7073  -25.0114    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.4939  -24.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2803  -25.0185    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   22.0739  -24.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4908  -22.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2834  -26.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  8  9  1  0     0  0
  3  4  2  0     0  0
  9 10  1  0     0  0
  4  5  1  0     0  0
 10 11  1  0     0  0
  5  6  2  0     0  0
 11 12  1  0     0  0
  6  1  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  5  7  1  0     0  0
 14 15  1  0     0  0
  1  2  2  0     0  0
 13 16  2  0     0  0
  7  8  1  0     0  0
 14 17  1  0     0  0
M  END
> <ID>
CHEBI:5006

> <NAME>
Fenothiocarb

> <STAR>
2

> <SYNONYM>
Fenothiocarb

> <FORMULA>
C13H19NO2S

> <MASS>
253.362

> <MONOISOTOPIC_MASS>
253.11365

> <CHARGE>
0

> <SMILES>
CN(C)C(=O)SCCCCOc1ccccc1

> <INCHI>
InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3

> <INCHIKEY>
HMIBKHHNXANVHR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
62850-32-2

> <KEGG_COMPOUND_ACCESSION>
C11084

$$$$