4-chloranyl-3-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: 4-chloranyl-3-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C16H11Cl2N2O4S- MolecularWeight: 398.24054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl)Cl

InChI

InChI=1S/C16H12Cl2N2O4S/c17-10-2-4-11(5-3-10)24-8-14(21)20-16(25)19-13-7-9(15(22)23)1-6-12(13)18/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)/p-1