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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(3-fluorophenyl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-7-[4-[(3-fluorobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[4-[[[(3-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(3-fluorobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-7-[4-[(3-fluorobenzoyl)thiocarbamoyl]piperazino]-4-keto-quinoline-3-carboxylate Formula: C24H21F2N4O4S- MolecularWeight: 499.509746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22F2N4O4S/c1-2-28-13-17(23(33)34)21(31)16-11-18(26)20(12-19(16)28)29-6-8-30(9-7-29)24(35)27-22(32)14-4-3-5-15(25)10-14/h3-5,10-13H,2,6-9H2,1H3,(H,33,34)(H,27,32,35)/p-1