ethyl 2-[[6-bromanyl-2-(4-fluorophenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[6-bromanyl-2-(4-fluorophenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[6-bromo-2-(4-fluorophenyl)quinoline-4-carbothioyl]-methyl-amino]acetate CAS Name: 2-[[[6-bromo-2-(4-fluorophenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(4-fluorophenyl)quinoline-4-carbothioyl]-methylamino]acetate Traditional Name: 2-[[6-bromo-2-(4-fluorophenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid ethyl ester Formula: C21H18BrFN2O2S MolecularWeight: 461.347223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrFN2O2S/c1-3-27-20(26)12-25(2)21(28)17-11-19(13-4-7-15(23)8-5-13)24-18-9-6-14(22)10-16(17)18/h4-11H,3,12H2,1-2H3