1-ethyl-6-fluoranyl-7-[4-[(2-iodanylphenyl)carbonylcarbamothioyl]piperazin-1-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(2-iodanylphenyl)carbonylcarbamothioyl]piperazin-1-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-7-[4-[(2-iodobenzoyl)carbamothioyl]piperazin-1-ium-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[4-[[[(2-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(2-iodobenzoyl)carbamothioyl]piperazin-1-ium-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-7-[4-[(2-iodobenzoyl)thiocarbamoyl]piperazin-1-ium-1-yl]-4-keto-quinoline-3-carboxylate Formula: C24H22FIN4O4S MolecularWeight: 608.423753

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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=CC=C4I)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)[NH+]3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4I)F)C(=O)[O-]

InChI

InChI=1S/C24H22FIN4O4S/c1-2-28-13-16(23(33)34)21(31)15-11-17(25)20(12-19(15)28)29-7-9-30(10-8-29)24(35)27-22(32)14-5-3-4-6-18(14)26/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)