1-cyclopropyl-6-fluoranyl-8-methoxy-7-[4-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamothioyl]-3-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[4-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamothioyl]-3-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[4-[[3-methoxycarbonyl-4-(p-tolyl)-2-thienyl]carbamothioyl]-3-methyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[4-[[[3-methoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-sulfanylidenemethyl]-3-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[4-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamothioyl]-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[[3-carbomethoxy-4-(p-tolyl)-2-thienyl]thiocarbamoyl]-3-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C33H33FN4O6S2 MolecularWeight: 664.766723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OC)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CC1CN(CCN1C(=S)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OC)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C33H33FN4O6S2/c1-17-5-7-19(8-6-17)23-16-46-30(25(23)32(42)44-4)35-33(45)37-12-11-36(14-18(37)2)27-24(34)13-21-26(29(27)43-3)38(20-9-10-20)15-22(28(21)39)31(40)41/h5-8,13,15-16,18,20H,9-12,14H2,1-4H3,(H,35,45)(H,40,41)