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

Systemtic Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]ethanamide Openeye Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(1R)-1,2-dimethylpropyl]acetamide CAS Name: 2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-[(2R)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide Traditional Name: 2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-[(1R)-1,2-dimethylpropyl]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-5-15-10-20(27-12-19(26)23-14(4)13(2)3)25-18-9-7-6-8-17(18)24-21(25)16(15)11-22/h6-10,13-14H,5,12H2,1-4H3,(H,23,26)/t14-/m1/s1