2-[methyl-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioyl]amino]benzoic acid

Systemtic Name: 2-[methyl-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioyl]amino]benzoic acid Openeye Name: 2-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]carbamothioyl-methyl-amino]benzoic acid CAS Name: 2-[methyl-[[[oxo-[2-(3-propan-2-yloxyphenyl)-4-quinolinyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[methyl-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioyl]amino]benzoic acid Traditional Name: 2-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]thiocarbamoyl-methyl-amino]benzoic acid Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)N(C)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)N(C)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H25N3O4S/c1-17(2)35-19-10-8-9-18(15-19)24-16-22(20-11-4-6-13-23(20)29-24)26(32)30-28(36)31(3)25-14-7-5-12-21(25)27(33)34/h4-17H,1-3H3,(H,33,34)(H,30,32,36)