N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-15(2)21(3,14-22)24-19(26)13-27-20-23-17-11-7-8-12-18(17)25(20)16-9-5-4-6-10-16/h4-12,15H,13H2,1-3H3,(H,24,26)/t21-/m1/s1