N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(1-phenethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]acetamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O2S/c1-33-25-15-8-7-14-24(25)30(18-9-17-28)26(32)20-34-27-29-22-12-5-6-13-23(22)31(27)19-16-21-10-3-2-4-11-21/h2-8,10-15H,9,16,18-20H2,1H3