2-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 2-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 2-[[[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 2-[[2-(4-ethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-2-12-7-9-13(10-8-12)24-11-16(21)20-18(25)19-15-6-4-3-5-14(15)17(22)23/h3-10H,2,11H2,1H3,(H,22,23)(H2,19,20,21,25)