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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-fluoroanilino)-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[(4-fluorophenyl)thiocarbamoyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C23H22F2N4O3S MolecularWeight: 472.507586

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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)F)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H22F2N4O3S/c1-2-27-13-17(22(31)32)21(30)16-11-18(25)20(12-19(16)27)28-7-9-29(10-8-28)23(33)26-15-5-3-14(24)4-6-15/h3-6,11-13H,2,7-10H2,1H3,(H,26,33)(H,31,32)