Marvin  08140717452D          

 14 13  0  0  0  0            999 V2000
   -2.1434    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0589    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  7  1  2  0  0  0  0
 11  1  1  0  0  0  0
  4  2  1  0  0  0  0
  8  2  2  0  0  0  0
 12  2  1  0  0  0  0
 10  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
  6  5  1  0  0  0  0
  9  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
> <ID>
CHEBI:3436

> <NAME>
cartap

> <STAR>
3

> <SYNONYM>
S,S'-(2-dimethylaminotrimethylene) bis(thiocarbamate); S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate; Cartap; carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester; 2-dimethylamino-1,3-bis(carbamoylthio)propane; 1,3-di(carbamoylthio)-2-dimethylaminopropane; 1,3-bis(carbamoylthio)-2-(N,N-dimethylamino)propane

> <IUPAC_NAME>
S,S'-[2-(dimethylamino)propane-1,3-diyl] bis(thiocarbamate)

> <FORMULA>
C7H15N3O2S2

> <MASS>
237.34502

> <MONOISOTOPIC_MASS>
237.06057

> <CHARGE>
0

> <SMILES>
CN(C)C(CSC(N)=O)CSC(N)=O

> <INCHI>
InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)

> <INCHIKEY>
IRUJZVNXZWPBMU-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1954913

> <CAS_REGISTRY_NUMBER>
15263-53-3

> <CHEMIDPLUS>
15263-53-3

> <KEGG_COMPOUND_ACCESSION>
C11080

$$$$