4-methoxy-3-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: 4-methoxy-3-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: 4-methoxy-3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-methoxy-3-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-methoxy-3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-methoxy-3-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C18H17N2O5S- MolecularWeight: 373.40298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC

InChI

InChI=1S/C18H18N2O5S/c1-11-5-3-4-6-14(11)25-10-16(21)20-18(26)19-13-9-12(17(22)23)7-8-15(13)24-2/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,26)/p-1