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

Systemtic Name: ethyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbothioyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[(6-bromo-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetate CAS Name: 2-[[(6-bromo-2-phenyl-4-quinolinyl)-sulfanylidenemethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-bromo-2-phenylquinoline-4-carbothioyl)-methylamino]acetate Traditional Name: 2-[(6-bromo-2-phenyl-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=C1C=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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