3-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(2,4-dichlorophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H12Cl2N2O4S MolecularWeight: 399.24848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

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