7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(2,5-dimethoxyphenyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H27FN4O5S MolecularWeight: 514.569083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN4O5S/c1-4-28-14-17(24(32)33)23(31)16-12-18(26)21(13-20(16)28)29-7-9-30(10-8-29)25(36)27-19-11-15(34-2)5-6-22(19)35-3/h5-6,11-14H,4,7-10H2,1-3H3,(H,27,36)(H,32,33)