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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(4-fluorophenyl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(4-fluorobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(4-fluorobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[(4-fluorobenzoyl)thiocarbamoyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C24H22F2N4O4S MolecularWeight: 500.517686

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22F2N4O4S/c1-2-28-13-17(23(33)34)21(31)16-11-18(26)20(12-19(16)28)29-7-9-30(10-8-29)24(35)27-22(32)14-3-5-15(25)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)