[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] N-cyclohexyl-N-methyl-carbamodithioate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] N-cyclohexyl-N-methyl-carbamodithioate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] N-cyclohexyl-N-methyl-carbamodithioate CAS Name: N-cyclohexyl-N-methylcarbamodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] N-cyclohexyl-N-methylcarbamodithioate Traditional Name: N-cyclohexyl-N-methyl-carbamodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C19H22N4OS2 MolecularWeight: 386.53418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=S)SCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CN(C1CCCCC1)C(=S)SCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H22N4OS2/c1-23(13-7-3-2-4-8-13)19(25)26-12-17(24)14(11-20)18-21-15-9-5-6-10-16(15)22-18/h5-6,9-10,13-14H,2-4,7-8,12H2,1H3,(H,21,22)