N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(1-phenethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]acetamide Formula: C26H23FN4OS MolecularWeight: 458.550423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23FN4OS/c27-21-11-13-22(14-12-21)30(17-6-16-28)25(32)19-33-26-29-23-9-4-5-10-24(23)31(26)18-15-20-7-2-1-3-8-20/h1-5,7-14H,6,15,17-19H2