2-[[7,8-bis(chloranyl)-2-phenyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[7,8-bis(chloranyl)-2-phenyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(7,8-dichloro-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(7,8-dichloro-2-phenyl-4-quinolinyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(7,8-dichloro-2-phenylquinoline-4-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(7,8-dichloro-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid Formula: C19H14Cl2N2O2S MolecularWeight: 405.29766

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC(=C2Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC(=C2Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H14Cl2N2O2S/c1-23(10-16(24)25)19(26)13-9-15(11-5-3-2-4-6-11)22-18-12(13)7-8-14(20)17(18)21/h2-9H,10H2,1H3,(H,24,25)