N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[1-(p-tolyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[1-(p-tolyl)benzimidazol-2-yl]thio]acetamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C22H24N4OS/c1-15(2)22(4,14-23)25-20(27)13-28-21-24-18-7-5-6-8-19(18)26(21)17-11-9-16(3)10-12-17/h5-12,15H,13H2,1-4H3,(H,25,27)/t22-/m1/s1