1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-thiophen-2-ylethanoylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-thiophen-2-ylethanoylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[2-(2-thienyl)acetyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[(1-oxo-2-thiophen-2-ylethyl)amino]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(2-thiophen-2-ylacetyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[[2-(2-thienyl)acetyl]thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C23H23FN4O4S2 MolecularWeight: 502.581523

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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)CC4=CC=CS4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)CC4=CC=CS4)F)C(=O)O

InChI

InChI=1S/C23H23FN4O4S2/c1-2-26-13-16(22(31)32)21(30)15-11-17(24)19(12-18(15)26)27-5-7-28(8-6-27)23(33)25-20(29)10-14-4-3-9-34-14/h3-4,9,11-13H,2,5-8,10H2,1H3,(H,31,32)(H,25,29,33)