4-methyl-3-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(4-isopropylphenoxy)acetyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(4-isopropylphenoxy)acetyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)C

InChI

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