3-[(5-chloranyl-2-methyl-phenyl)carbamothioyl-ethyl-amino]propanoic acid

Systemtic Name: 3-[(5-chloranyl-2-methyl-phenyl)carbamothioyl-ethyl-amino]propanoic acid Openeye Name: 3-[(5-chloro-2-methyl-phenyl)carbamothioyl-ethyl-amino]propanoic acid CAS Name: 3-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]-ethylamino]propanoic acid IUPAC Name: 3-[(5-chloro-2-methylphenyl)carbamothioyl-ethylamino]propanoic acid Traditional Name: 3-[(5-chloro-2-methyl-phenyl)thiocarbamoyl-ethyl-amino]propionic acid Formula: C13H17ClN2O2S MolecularWeight: 300.80428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)C(=S)NC1=C(C=CC(=C1)Cl)C

Isomeric SMILES

CCN(CCC(=O)O)C(=S)NC1=C(C=CC(=C1)Cl)C

InChI

InChI=1S/C13H17ClN2O2S/c1-3-16(7-6-12(17)18)13(19)15-11-8-10(14)5-4-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)(H,17,18)