7-[4-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(2-bromo-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H24BrFN4O3S MolecularWeight: 547.439763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=C(C=C(C=C4)C)Br)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=C(C=C(C=C4)C)Br)F)C(=O)O

InChI

InChI=1S/C24H24BrFN4O3S/c1-3-28-13-16(23(32)33)22(31)15-11-18(26)21(12-20(15)28)29-6-8-30(9-7-29)24(34)27-19-5-4-14(2)10-17(19)25/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,34)(H,32,33)