2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C25H21ClN4OS MolecularWeight: 460.97844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN4OS/c26-20-12-13-23-22(16-20)28-25(30(23)17-19-8-3-1-4-9-19)32-18-24(31)29(15-7-14-27)21-10-5-2-6-11-21/h1-6,8-13,16H,7,15,17-18H2