2-[methyl-[[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]carbonylcarbamothioyl]amino]benzoate

Systemtic Name: 2-[methyl-[[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]carbonylcarbamothioyl]amino]benzoate Openeye Name: 2-[[2-(3-isobutoxyphenyl)quinoline-4-carbonyl]carbamothioyl-methyl-amino]benzoate CAS Name: 2-[methyl-[[[[2-[3-(2-methylpropoxy)phenyl]-4-quinolinyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-[methyl-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[2-(3-isobutoxyphenyl)quinoline-4-carbonyl]thiocarbamoyl-methyl-amino]benzoate Formula: C29H26N3O4S- MolecularWeight: 512.59944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=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)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)N(C)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C29H27N3O4S/c1-18(2)17-36-20-10-8-9-19(15-20)25-16-23(21-11-4-6-13-24(21)30-25)27(33)31-29(37)32(3)26-14-7-5-12-22(26)28(34)35/h4-16,18H,17H2,1-3H3,(H,34,35)(H,31,33,37)/p-1