N-[(4-chlorophenyl)methyl]-8-fluoranyl-4-oxidanylidene-6-(phenylmethylsulfanyl)-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-fluoranyl-4-oxidanylidene-6-(phenylmethylsulfanyl)-1H-quinoline-3-carboxamide Openeye Name: 6-benzylsulfanyl-N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-6-(phenylmethylthio)-1H-quinoline-3-carboxamide IUPAC Name: 6-benzylsulfanyl-N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 6-(benzylthio)-N-(4-chlorobenzyl)-8-fluoro-4-keto-1H-quinoline-3-carboxamide Formula: C24H18ClFN2O2S MolecularWeight: 452.928323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=C3C(=C2)C(=O)C(=CN3)C(=O)NCC4=CC=C(C=C4)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=C3C(=C2)C(=O)C(=CN3)C(=O)NCC4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C24H18ClFN2O2S/c25-17-8-6-15(7-9-17)12-28-24(30)20-13-27-22-19(23(20)29)10-18(11-21(22)26)31-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,27,29)(H,28,30)