1-(4-fluorophenyl)carbonyl-3-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-azepan-2-one

Systemtic Name: 1-(4-fluorophenyl)carbonyl-3-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-azepan-2-one Openeye Name: 1-(4-fluorobenzoyl)-3-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]azepan-2-one CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-[(7-methoxy-4-methyl-2-quinolinyl)thio]-2-azepanone IUPAC Name: 1-(4-fluorobenzoyl)-3-(7-methoxy-4-methylquinolin-2-yl)sulfanylazepan-2-one Traditional Name: 1-(4-fluorobenzoyl)-3-[(7-methoxy-4-methyl-2-quinolyl)thio]azepan-2-one Formula: C24H23FN2O3S MolecularWeight: 438.514423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN2O3S/c1-15-13-22(26-20-14-18(30-2)10-11-19(15)20)31-21-5-3-4-12-27(24(21)29)23(28)16-6-8-17(25)9-7-16/h6-11,13-14,21H,3-5,12H2,1-2H3