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

Systemtic Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(isoamylcarbamoyl)acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-4-15-11-20(30-13-19(28)26-22(29)24-10-9-14(2)3)27-18-8-6-5-7-17(18)25-21(27)16(15)12-23/h5-8,11,14H,4,9-10,13H2,1-3H3,(H2,24,26,28,29)