N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Formula: C28H25F3N4OS MolecularWeight: 522.58451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C28H25F3N4OS/c1-19-13-20(2)15-23(14-19)34(12-6-11-32)26(36)18-37-27-33-24-16-22(28(29,30)31)9-10-25(24)35(27)17-21-7-4-3-5-8-21/h3-5,7-10,13-16H,6,12,17-18H2,1-2H3