2-[(3-chlorophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-chlorophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-chlorophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(3-chlorophenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-chlorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-chlorobenzyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C13H17ClN2O3S MolecularWeight: 316.80368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCC1=CC(=CC=C1)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C13H17ClN2O3S/c1-20-6-5-11(12(17)18)16-13(19)15-8-9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,17,18)(H2,15,16,19)