2-[[2-(2,4-dichlorophenyl)-6-methyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(2,4-dichlorophenyl)-6-methyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(2,4-dichlorophenyl)-6-methyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(2,4-dichlorophenyl)-6-methyl-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(2,4-dichlorophenyl)-6-methylquinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(2,4-dichlorophenyl)-6-methyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H16Cl2N2O2S MolecularWeight: 419.32424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=S)N(C)CC(=O)O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=S)N(C)CC(=O)O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O2S/c1-11-3-6-17-14(7-11)15(20(27)24(2)10-19(25)26)9-18(23-17)13-5-4-12(21)8-16(13)22/h3-9H,10H2,1-2H3,(H,25,26)