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

Systemtic Name: methyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(3-isobutoxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[2-[3-(2-methylpropoxy)phenyl]-4-quinolinyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(3-isobutoxyphenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C29H27N3O4S MolecularWeight: 513.60738

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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)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)OC

InChI

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