ethyl 2-[[2-(4-bromophenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-(4-bromophenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[2-(4-bromophenyl)quinoline-4-carbothioyl]-methyl-amino]acetate CAS Name: 2-[[[2-(4-bromophenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromophenyl)quinoline-4-carbothioyl]-methylamino]acetate Traditional Name: 2-[[2-(4-bromophenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid ethyl ester Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C(=S)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)CN(C)C(=S)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN2O2S/c1-3-26-20(25)13-24(2)21(27)17-12-19(14-8-10-15(22)11-9-14)23-18-7-5-4-6-16(17)18/h4-12H,3,13H2,1-2H3