N-(2-cyanoethyl)-2-(5,7-dimethoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(5,7-dimethoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5,7-dimethoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-2-[(5,7-dimethoxy-4-phenyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(5,7-dimethoxy-4-phenylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(5,7-dimethoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=CC(=NC2=C1)SCC(=O)NCCC#N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C2C(=CC(=NC2=C1)SCC(=O)NCCC#N)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H21N3O3S/c1-27-16-11-18-22(19(12-16)28-2)17(15-7-4-3-5-8-15)13-21(25-18)29-14-20(26)24-10-6-9-23/h3-5,7-8,11-13H,6,10,14H2,1-2H3,(H,24,26)