1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(9H-xanthen-9-ylcarbonylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(9H-xanthen-9-ylcarbonylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[[oxo(9H-xanthen-9-yl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(9H-xanthene-9-carbonylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C31H27FN4O5S MolecularWeight: 586.633283

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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)C4C5=CC=CC=C5OC6=CC=CC=C46)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)F)C(=O)O

InChI

InChI=1S/C31H27FN4O5S/c1-2-34-17-21(30(39)40)28(37)20-15-22(32)24(16-23(20)34)35-11-13-36(14-12-35)31(42)33-29(38)27-18-7-3-5-9-25(18)41-26-10-6-4-8-19(26)27/h3-10,15-17,27H,2,11-14H2,1H3,(H,39,40)(H,33,38,42)