N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(1-hexylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(1-hexyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(1-hexylbenzimidazol-2-yl)thio]acetamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C21H28N4OS/c1-3-4-5-8-13-25-18-10-7-6-9-17(18)23-20(25)27-14-19(26)24-21(2,15-22)16-11-12-16/h6-7,9-10,16H,3-5,8,11-14H2,1-2H3,(H,24,26)/t21-/m1/s1