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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-[(4-benzyloxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-[4-[(4-benzoxyphenyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C30H29FN4O4S MolecularWeight: 560.639063

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

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C30H29FN4O4S/c1-2-33-18-24(29(37)38)28(36)23-16-25(31)27(17-26(23)33)34-12-14-35(15-13-34)30(40)32-21-8-10-22(11-9-21)39-19-20-6-4-3-5-7-20/h3-11,16-18H,2,12-15,19H2,1H3,(H,32,40)(H,37,38)