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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(1-methylpyrazol-3-yl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(1-methylpyrazole-3-carbonyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(1-methylpyrazole-3-carbonyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(1-methylpyrazole-3-carbonyl)thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C22H23FN6O4S MolecularWeight: 486.519223

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN6O4S/c1-3-27-12-14(21(32)33)19(30)13-10-15(23)18(11-17(13)27)28-6-8-29(9-7-28)22(34)24-20(31)16-4-5-26(2)25-16/h4-5,10-12H,3,6-9H2,1-2H3,(H,32,33)(H,24,31,34)