7-[4-[2-(4-chlorophenyl)ethanoylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[2-(4-chlorophenyl)ethanoylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[[2-(4-chlorophenyl)acetyl]thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H24ClFN4O4S MolecularWeight: 530.998863

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)CC4=CC=C(C=C4)Cl)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)CC4=CC=C(C=C4)Cl)F)C(=O)O

InChI

InChI=1S/C25H24ClFN4O4S/c1-2-29-14-18(24(34)35)23(33)17-12-19(27)21(13-20(17)29)30-7-9-31(10-8-30)25(36)28-22(32)11-15-3-5-16(26)6-4-15/h3-6,12-14H,2,7-11H2,1H3,(H,34,35)(H,28,32,36)