ethyl 4-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-[2-(3-propan-2-yloxyphenyl)-4-quinolinyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C

InChI

InChI=1S/C29H27N3O4S/c1-4-35-28(34)19-12-14-21(15-13-19)30-29(37)32-27(33)24-17-26(31-25-11-6-5-10-23(24)25)20-8-7-9-22(16-20)36-18(2)3/h5-18H,4H2,1-3H3,(H2,30,32,33,37)