7-[4-[[(3Z)-3-(carbamothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]methyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[[(3Z)-3-(carbamothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]methyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[[(3Z)-3-(carbamothioylhydrazono)-2-oxo-indolin-1-yl]methyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[(3Z)-3-(carbamothioylhydrazinylidene)-2-oxo-1-indolyl]methyl]-3-methyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[[(3Z)-3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]methyl]-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[[(3Z)-2-keto-3-(thiocarbamoylhydrazono)indolin-1-yl]methyl]-3-methyl-piperazino]-8-methoxy-quinoline-3-carboxylic acid Formula: C29H30FN7O5S MolecularWeight: 607.655803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CN2C3=CC=CC=C3C(=NNC(=S)N)C2=O)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CC1CN(CCN1CN2C3=CC=CC=C3/C(=N/NC(=S)N)/C2=O)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C29H30FN7O5S/c1-15-12-34(9-10-35(15)14-37-21-6-4-3-5-17(21)22(27(37)39)32-33-29(31)43)24-20(30)11-18-23(26(24)42-2)36(16-7-8-16)13-19(25(18)38)28(40)41/h3-6,11,13,15-16H,7-10,12,14H2,1-2H3,(H,40,41)(H3,31,33,43)/b32-22-