3-[(2-chloranyl-6-methyl-phenyl)carbamothioyl-ethyl-amino]propanoic acid

Systemtic Name: 3-[(2-chloranyl-6-methyl-phenyl)carbamothioyl-ethyl-amino]propanoic acid Openeye Name: 3-[(2-chloro-6-methyl-phenyl)carbamothioyl-ethyl-amino]propanoic acid CAS Name: 3-[[(2-chloro-6-methylanilino)-sulfanylidenemethyl]-ethylamino]propanoic acid IUPAC Name: 3-[(2-chloro-6-methylphenyl)carbamothioyl-ethylamino]propanoic acid Traditional Name: 3-[(2-chloro-6-methyl-phenyl)thiocarbamoyl-ethyl-amino]propionic acid Formula: C13H17ClN2O2S MolecularWeight: 300.80428

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)C(=S)NC1=C(C=CC=C1Cl)C

Isomeric SMILES

CCN(CCC(=O)O)C(=S)NC1=C(C=CC=C1Cl)C

InChI

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