N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]-N-phenyl-acetamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S/c1-31-21-14-12-20(13-15-21)29-23-11-6-5-10-22(23)27-25(29)32-18-24(30)28(17-7-16-26)19-8-3-2-4-9-19/h2-6,8-15H,7,17-18H2,1H3