7-[4-[[(3Z)-5-bromanyl-3-(carbamothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[[(3Z)-5-bromanyl-3-(carbamothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[[(3Z)-5-bromo-3-(carbamothioylhydrazono)-2-oxo-indolin-1-yl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[(3Z)-5-bromo-3-(carbamothioylhydrazinylidene)-2-oxo-1-indolyl]methyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[[(3Z)-5-bromo-3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[[(3Z)-5-bromo-2-keto-3-(thiocarbamoylhydrazono)indolin-1-yl]methyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H25BrFN7O4S MolecularWeight: 642.499303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CN5C6=C(C=C(C=C6)Br)C(=NNC(=S)N)C5=O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CN5C6=C(C=C(C=C6)Br)/C(=N/NC(=S)N)/C5=O)F)C(=O)O

InChI

InChI=1S/C27H25BrFN7O4S/c28-14-1-4-20-16(9-14)23(31-32-27(30)41)25(38)36(20)13-33-5-7-34(8-6-33)22-11-21-17(10-19(22)29)24(37)18(26(39)40)12-35(21)15-2-3-15/h1,4,9-12,15H,2-3,5-8,13H2,(H,39,40)(H3,30,32,41)/b31-23-