3-[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: 3-[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: 3-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(2-chlorophenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C16H12ClN2O4S- MolecularWeight: 363.79548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O4S/c17-12-6-1-2-7-13(12)23-9-14(20)19-16(24)18-11-5-3-4-10(8-11)15(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20,24)/p-1