7-[4-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenyl-ethyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenyl-ethyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(2E)-2-(carbamothioylhydrazono)-2-phenyl-ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(2E)-2-phenyl-2-(thiocarbamoylhydrazono)ethyl]piperazino]quinoline-3-carboxylic acid Formula: C25H27FN6O3S MolecularWeight: 510.583683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN6O3S/c1-2-31-14-18(24(34)35)23(33)17-12-19(26)22(13-21(17)31)32-10-8-30(9-11-32)15-20(28-29-25(27)36)16-6-4-3-5-7-16/h3-7,12-14H,2,8-11,15H2,1H3,(H,34,35)(H3,27,29,36)/b28-20-