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

Systemtic Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(propylcarbamoyl)ethanamide Openeye Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(propylcarbamoyl)acetamide CAS Name: 2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(propylcarbamoyl)acetamide Traditional Name: 2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(propylcarbamoyl)acetamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)CC

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)CC

InChI

InChI=1S/C20H21N5O2S/c1-3-9-22-20(27)24-17(26)12-28-18-10-13(4-2)14(11-21)19-23-15-7-5-6-8-16(15)25(18)19/h5-8,10H,3-4,9,12H2,1-2H3,(H2,22,24,26,27)