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

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(7-methoxy-4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(7-methoxy-4-methyl-2-quinolyl)thio]acetamide Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3O2S/c1-15-12-21(25-20-13-18(28-2)8-9-19(15)20)29-14-22(27)26(11-3-10-24)17-6-4-16(23)5-7-17/h4-9,12-13H,3,11,14H2,1-2H3