3-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(4-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S/c1-11-5-7-14(8-6-11)23-10-15(20)19-17(24)18-13-4-2-3-12(9-13)16(21)22/h2-9H,10H2,1H3,(H,21,22)(H2,18,19,20,24)