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

Systemtic Name: ethyl 2-[[2-(4-methoxyphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetate CAS Name: 2-[[[2-(4-methoxyphenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbothioyl]-methylamino]acetate Traditional Name: 2-[[2-(4-methoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-4-27-21(25)14-24(2)22(28)18-13-20(15-9-11-16(26-3)12-10-15)23-19-8-6-5-7-17(18)19/h5-13H,4,14H2,1-3H3