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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-nitroanilino)-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(4-nitrophenyl)thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C23H22FN5O5S MolecularWeight: 499.514683

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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)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C23H22FN5O5S/c1-2-26-13-17(22(31)32)21(30)16-11-18(24)20(12-19(16)26)27-7-9-28(10-8-27)23(35)25-14-3-5-15(6-4-14)29(33)34/h3-6,11-13H,2,7-10H2,1H3,(H,25,35)(H,31,32)