1-ethyl-6-fluoranyl-7-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-7-[4-(o-tolylcarbamothioyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(o-tolylthiocarbamoyl)piperazino]quinoline-3-carboxylate Formula: C24H24FN4O3S- MolecularWeight: 467.535763

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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=CC=C4C)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4C)F)C(=O)[O-]

InChI

InChI=1S/C24H25FN4O3S/c1-3-27-14-17(23(31)32)22(30)16-12-18(25)21(13-20(16)27)28-8-10-29(11-9-28)24(33)26-19-7-5-4-6-15(19)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,26,33)(H,31,32)/p-1