N-(cyanomethyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(1-phenethyl-2-benzimidazolyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]-N-phenyl-acetamide Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC(=O)N(CC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC(=O)N(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4OS/c26-16-18-28(21-11-5-2-6-12-21)24(30)19-31-25-27-22-13-7-8-14-23(22)29(25)17-15-20-9-3-1-4-10-20/h1-14H,15,17-19H2