N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-21(14-22,15-11-12-15)24-19(26)13-27-20-23-17-9-5-6-10-18(17)25(20)16-7-3-2-4-8-16/h2-10,15H,11-13H2,1H3,(H,24,26)/t21-/m0/s1