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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-7-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-methoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(4-methoxyphenyl)thiocarbamoyl]piperazino]quinoline-3-carboxylate Formula: C24H24FN4O4S- MolecularWeight: 483.535163

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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)OC)F)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN4O4S/c1-3-27-14-18(23(31)32)22(30)17-12-19(25)21(13-20(17)27)28-8-10-29(11-9-28)24(34)26-15-4-6-16(33-2)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,26,34)(H,31,32)/p-1