2-[methyl-(2-phenyl-6-propan-2-yl-quinolin-4-yl)carbothioyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-(2-phenyl-6-propan-2-yl-quinolin-4-yl)carbothioyl-amino]ethanoic acid Openeye Name: 2-[(6-isopropyl-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[methyl-[(2-phenyl-6-propan-2-yl-4-quinolinyl)-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[methyl-(2-phenyl-6-propan-2-ylquinoline-4-carbothioyl)amino]acetic acid Traditional Name: 2-[(6-isopropyl-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S/c1-14(2)16-9-10-19-17(11-16)18(22(27)24(3)13-21(25)26)12-20(23-19)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,25,26)