7-[4-[(6-chloranylpyridin-3-yl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-[4-[(6-chloranylpyridin-3-yl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-[[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-[(6-chloronicotinoyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C23H20ClFN5O4S- MolecularWeight: 516.952403

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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)C4=CN=C(C=C4)Cl)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CN=C(C=C4)Cl)F)C(=O)[O-]

InChI

InChI=1S/C23H21ClFN5O4S/c1-2-28-12-15(22(33)34)20(31)14-9-16(25)18(10-17(14)28)29-5-7-30(8-6-29)23(35)27-21(32)13-3-4-19(24)26-11-13/h3-4,9-12H,2,5-8H2,1H3,(H,33,34)(H,27,32,35)/p-1