methyl 2-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 2-[[2-(4-isopropylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 2-[[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 2-[[2-(4-isopropylphenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-13(2)14-8-10-15(11-9-14)26-12-18(23)22-20(27)21-17-7-5-4-6-16(17)19(24)25-3/h4-11,13H,12H2,1-3H3,(H2,21,22,23,27)