7-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(3-chloro-4-fluoro-phenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H21ClF2N4O3S MolecularWeight: 506.952646

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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)F)Cl)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC(=C(C=C4)F)Cl)F)C(=O)O

InChI

InChI=1S/C23H21ClF2N4O3S/c1-2-28-12-15(22(32)33)21(31)14-10-18(26)20(11-19(14)28)29-5-7-30(8-6-29)23(34)27-13-3-4-17(25)16(24)9-13/h3-4,9-12H,2,5-8H2,1H3,(H,27,34)(H,32,33)