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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(p-tolylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(p-tolylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C24H25FN4O3S MolecularWeight: 468.543703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C)F)C(=O)O

InChI

InChI=1S/C24H25FN4O3S/c1-3-27-14-18(23(31)32)22(30)17-12-19(25)21(13-20(17)27)28-8-10-29(11-9-28)24(33)26-16-6-4-15(2)5-7-16/h4-7,12-14H,3,8-11H2,1-2H3,(H,26,33)(H,31,32)