[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 4-(phenylmethyl)piperidine-1-carbodithioate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 4-(phenylmethyl)piperidine-1-carbodithioate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 4-benzylpiperidine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperidinecarbodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 4-benzylpiperidine-1-carbodithioate Traditional Name: 4-benzylpiperidine-1-carbodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C24H24N4OS2 MolecularWeight: 448.60356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=S)SCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=S)SCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H24N4OS2/c25-15-19(23-26-20-8-4-5-9-21(20)27-23)22(29)16-31-24(30)28-12-10-18(11-13-28)14-17-6-2-1-3-7-17/h1-9,18-19H,10-14,16H2,(H,26,27)