3-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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