1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(3-phenylmethoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(3-phenylmethoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-[(3-benzyloxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(3-phenylmethoxybenzoyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-[4-[(3-benzoxybenzoyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C31H29FN4O5S MolecularWeight: 588.649163

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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)OCC5=CC=CC=C5)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)OCC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C31H29FN4O5S/c1-2-34-18-24(30(39)40)28(37)23-16-25(32)27(17-26(23)34)35-11-13-36(14-12-35)31(42)33-29(38)21-9-6-10-22(15-21)41-19-20-7-4-3-5-8-20/h3-10,15-18H,2,11-14,19H2,1H3,(H,39,40)(H,33,38,42)