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

Systemtic Name: 7-[4-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[4-[(2-bromo-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C24H23BrFN4O3S- MolecularWeight: 546.431823

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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)/p-1