7-[4-[[(3Z)-5-bromanyl-3-(carbamothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]methyl]piperazin-1-yl]-1-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[[(3Z)-5-bromo-2-keto-3-(thiocarbamoylhydrazono)indolin-1-yl]methyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H25BrFN7O4S MolecularWeight: 630.488603

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C5=C(C=C(C=C5)Br)C(=NNC(=S)N)C4=O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C5=C(C=C(C=C5)Br)/C(=N/NC(=S)N)/C4=O)F)C(=O)O

InChI

InChI=1S/C26H25BrFN7O4S/c1-2-33-12-17(25(38)39)23(36)16-10-18(28)21(11-20(16)33)34-7-5-32(6-8-34)13-35-19-4-3-14(27)9-15(19)22(24(35)37)30-31-26(29)40/h3-4,9-12H,2,5-8,13H2,1H3,(H,38,39)(H3,29,31,40)/b30-22-