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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[1-(4-fluorophenyl)ethylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[1-(4-fluorophenyl)ethylcarbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[1-(4-fluorophenyl)ethylcarbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[1-(4-fluorophenyl)ethylthiocarbamoyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C25H26F2N4O3S MolecularWeight: 500.560746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26F2N4O3S/c1-3-29-14-19(24(33)34)23(32)18-12-20(27)22(13-21(18)29)30-8-10-31(11-9-30)25(35)28-15(2)16-4-6-17(26)7-5-16/h4-7,12-15H,3,8-11H2,1-2H3,(H,28,35)(H,33,34)