disodium 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-sulfanidylcarbothioylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: disodium 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-sulfanidylcarbothioylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: disodium 1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfidocarbothioylpiperazin-1-yl)quinoline-3-carboxylate CAS Name: disodium 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[sulfanylidene(sulfido)methyl]-1-piperazinyl]-3-quinolinecarboxylate IUPAC Name: disodium 1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfidocarbothioylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: disodium 1-cyclopropyl-6-fluoro-4-keto-7-(4-sulfidocarbothioylpiperazino)quinoline-3-carboxylate Formula: C18H16FN3Na2O3S2 MolecularWeight: 451.445883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)[S-])F)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)[S-])F)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H18FN3O3S2.2Na/c19-13-7-11-14(8-15(13)20-3-5-21(6-4-20)18(26)27)22(10-1-2-10)9-12(16(11)23)17(24)25;;/h7-10H,1-6H2,(H,24,25)(H,26,27);;/q;2*+1/p-2