N-(2-cyanoethyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]-N-methyl-acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=C(C=CC(=C2)OC)C(=C1)C3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=C(C=CC(=C2)OC)C(=C1)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-25(12-6-11-23)22(26)15-28-21-14-19(16-7-4-3-5-8-16)18-10-9-17(27-2)13-20(18)24-21/h3-5,7-10,13-14H,6,12,15H2,1-2H3