7-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-[(4-chloroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-[(4-chlorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C23H22ClFN4O3S MolecularWeight: 488.962183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)[NH+]3CCN(CC3)C(=S)NC4=CC=C(C=C4)Cl)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)[NH+]3CCN(CC3)C(=S)NC4=CC=C(C=C4)Cl)F)C(=O)[O-]

InChI

InChI=1S/C23H22ClFN4O3S/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)