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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[3-(2-phenoxyethanoylamino)azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[3-[(2-phenoxyacetyl)amino]azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[[3-[(1-oxo-2-phenoxyethyl)amino]-2-azetidinyl]thio]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[3-[(2-phenoxyacetyl)amino]azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[[3-[(2-phenoxyacetyl)amino]azetidin-2-yl]thio]carbothioylpiperazino]quinoline-3-carboxylic acid Formula: C29H30FN5O5S2 MolecularWeight: 611.707403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SC5C(CN5)NC(=O)COC6=CC=CC=C6)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SC5C(CN5)NC(=O)COC6=CC=CC=C6)F)C(=O)O

InChI

InChI=1S/C29H30FN5O5S2/c30-21-12-19-23(35(17-6-7-17)15-20(26(19)37)28(38)39)13-24(21)33-8-10-34(11-9-33)29(41)42-27-22(14-31-27)32-25(36)16-40-18-4-2-1-3-5-18/h1-5,12-13,15,17,22,27,31H,6-11,14,16H2,(H,32,36)(H,38,39)