N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC(C)(C#N)C4CC4)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N[C@](C)(C#N)C4CC4)C#N

InChI

InChI=1S/C22H21N5OS/c1-3-14-10-20(29-12-19(28)26-22(2,13-24)15-8-9-15)27-18-7-5-4-6-17(18)25-21(27)16(14)11-23/h4-7,10,15H,3,8-9,12H2,1-2H3,(H,26,28)/t22-/m1/s1