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

Systemtic Name: N-(2-cyanoethyl)-2-(5,7-dimethoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5,7-dimethoxy-4-phenyl-2-quinolyl)sulfanyl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(5,7-dimethoxy-4-phenyl-2-quinolinyl)thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(5,7-dimethoxy-4-phenylquinolin-2-yl)sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(5,7-dimethoxy-4-phenyl-2-quinolyl)thio]-N-methyl-acetamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC(=CC(=C2C(=C1)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC(=CC(=C2C(=C1)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H23N3O3S/c1-26(11-7-10-24)22(27)15-30-21-14-18(16-8-5-4-6-9-16)23-19(25-21)12-17(28-2)13-20(23)29-3/h4-6,8-9,12-14H,7,11,15H2,1-3H3