2-[[2-(2,4-dichlorophenyl)-7-methoxy-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(2,4-dichlorophenyl)-7-methoxy-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(2,4-dichlorophenyl)-7-methoxy-quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(2,4-dichlorophenyl)-7-methoxy-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(2,4-dichlorophenyl)-7-methoxyquinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(2,4-dichlorophenyl)-7-methoxy-quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H16Cl2N2O3S MolecularWeight: 435.32364

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC(=C2)OC)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC(=C2)OC)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O3S/c1-24(10-19(25)26)20(28)15-9-18(14-5-3-11(21)7-16(14)22)23-17-8-12(27-2)4-6-13(15)17/h3-9H,10H2,1-2H3,(H,25,26)