2-[[6-bromanyl-2-(4-fluorophenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[6-bromanyl-2-(4-fluorophenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[6-bromo-2-(4-fluorophenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[6-bromo-2-(4-fluorophenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[6-bromo-2-(4-fluorophenyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[6-bromo-2-(4-fluorophenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C19H14BrFN2O2S MolecularWeight: 433.294063

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H14BrFN2O2S/c1-23(10-18(24)25)19(26)15-9-17(11-2-5-13(21)6-3-11)22-16-7-4-12(20)8-14(15)16/h2-9H,10H2,1H3,(H,24,25)