7-[4-(5-bicyclo[2.2.1]hept-2-enylcarbamothioyl)-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(5-bicyclo[2.2.1]hept-2-enylcarbamothioyl)-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(5-bicyclo[2.2.1]hept-2-enylcarbamothioyl)-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(5-bicyclo[2.2.1]hept-2-enylamino)-sulfanylidenemethyl]-3-methyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(5-bicyclo[2.2.1]hept-2-enylcarbamothioyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(5-bicyclo[2.2.1]hept-2-enylthiocarbamoyl)-3-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C27H31FN4O4S MolecularWeight: 526.622843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC2CC3CC2C=C3)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CC1CN(CCN1C(=S)NC2CC3CC2C=C3)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C27H31FN4O4S/c1-14-12-30(7-8-31(14)27(37)29-21-10-15-3-4-16(21)9-15)23-20(28)11-18-22(25(23)36-2)32(17-5-6-17)13-19(24(18)33)26(34)35/h3-4,11,13-17,21H,5-10,12H2,1-2H3,(H,29,37)(H,34,35)