7-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-(1,3-benzodioxol-5-ylthiocarbamoyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C24H22FN4O5S- MolecularWeight: 497.518683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCO5)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCO5)F)C(=O)[O-]

InChI

InChI=1S/C24H23FN4O5S/c1-2-27-12-16(23(31)32)22(30)15-10-17(25)19(11-18(15)27)28-5-7-29(8-6-28)24(35)26-14-3-4-20-21(9-14)34-13-33-20/h3-4,9-12H,2,5-8,13H2,1H3,(H,26,35)(H,31,32)/p-1