4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

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