N-(1,3-benzodioxol-5-yl)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetamide Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C22H16N4O3S/c1-13-8-21(26-17-5-3-2-4-16(17)25-22(26)15(13)10-23)30-11-20(27)24-14-6-7-18-19(9-14)29-12-28-18/h2-9H,11-12H2,1H3,(H,24,27)