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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylcarbonylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-(benzoylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[benzamido(sulfanylidene)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(benzoylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(benzoylthiocarbamoyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H23FN4O4S MolecularWeight: 482.527223

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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)C4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN4O4S/c1-2-27-14-17(23(32)33)21(30)16-12-18(25)20(13-19(16)27)28-8-10-29(11-9-28)24(34)26-22(31)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,32,33)(H,26,31,34)