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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[[(Z)-1-phenylethylideneamino]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[(Z)-1-phenylethylideneamino]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[(2Z)-2-(1-phenylethylidene)hydrazinyl]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[(Z)-1-phenylethylideneamino]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[[(Z)-1-phenylethylideneamino]thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C25H26FN5O3S MolecularWeight: 495.569043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)N/N=C(/C)\C4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C25H26FN5O3S/c1-3-29-15-19(24(33)34)23(32)18-13-20(26)22(14-21(18)29)30-9-11-31(12-10-30)25(35)28-27-16(2)17-7-5-4-6-8-17/h4-8,13-15H,3,9-12H2,1-2H3,(H,28,35)(H,33,34)/b27-16-