ethyl 2-[[2-(3,4-dichlorophenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-(3,4-dichlorophenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[2-(3,4-dichlorophenyl)quinoline-4-carbothioyl]-methyl-amino]acetate CAS Name: 2-[[[2-(3,4-dichlorophenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,4-dichlorophenyl)quinoline-4-carbothioyl]-methylamino]acetate Traditional Name: 2-[[2-(3,4-dichlorophenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid ethyl ester Formula: C21H18Cl2N2O2S MolecularWeight: 433.35082

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O2S/c1-3-27-20(26)12-25(2)21(28)15-11-19(13-8-9-16(22)17(23)10-13)24-18-7-5-4-6-14(15)18/h4-11H,3,12H2,1-2H3