3-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]propanoic acid

Systemtic Name: 3-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]propanoic acid Openeye Name: 3-[(2,5-dichlorophenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(2,5-dichlorophenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(2,5-dichlorophenyl)thiocarbamoylamino]propionic acid Formula: C10H10Cl2N2O2S MolecularWeight: 293.1696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=S)NCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=S)NCCC(=O)O)Cl

InChI

InChI=1S/C10H10Cl2N2O2S/c11-6-1-2-7(12)8(5-6)14-10(17)13-4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)(H2,13,14,17)