sodium 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: sodium 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylate Openeye Name: sodium 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylate CAS Name: sodium 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[[4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-2-azetidinyl]thio]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylate IUPAC Name: sodium 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylate Traditional Name: sodium 1-cyclopropyl-6-fluoro-4-keto-7-[4-[[4-keto-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]thio]carbothioylpiperazino]quinoline-3-carboxylate Formula: C29H27FN5NaO6S2 MolecularWeight: 647.672753

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SC5C(C(=O)N5)NC(=O)COC6=CC=CC=C6)F)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SC5C(C(=O)N5)NC(=O)COC6=CC=CC=C6)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C29H28FN5O6S2.Na/c30-20-12-18-21(35(16-6-7-16)14-19(25(18)37)28(39)40)13-22(20)33-8-10-34(11-9-33)29(42)43-27-24(26(38)32-27)31-23(36)15-41-17-4-2-1-3-5-17;/h1-5,12-14,16,24,27H,6-11,15H2,(H,31,36)(H,32,38)(H,39,40);/q;+1/p-1