methyl 3-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 3-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 3-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(2-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=CC=C1OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)OC

InChI

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