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

Systemtic Name: 4-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-[[2-(4-isopropylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[2-(4-isopropylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-12(2)13-5-9-16(10-6-13)25-11-17(22)21-19(26)20-15-7-3-14(4-8-15)18(23)24/h3-10,12H,11H2,1-2H3,(H,23,24)(H2,20,21,22,26)