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

Systemtic Name: 7-[4-[(4-bromophenyl)carbonylcarbamothioyl]piperazin-1-ium-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[4-[(4-bromobenzoyl)carbamothioyl]piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[4-[(4-bromobenzoyl)carbamothioyl]piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-[(4-bromobenzoyl)thiocarbamoyl]piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C24H22BrFN4O4S MolecularWeight: 561.423283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrFN4O4S/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)