2-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]-4-ethanoylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]-4-ethanoylsulfanyl-butanoic acid Openeye Name: 4-acetylsulfanyl-2-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[[2-(4-chlorophenyl)ethylamino]-oxomethyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]butyric acid Formula: C16H21ClN2O4S MolecularWeight: 372.86694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCCC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCCC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C16H21ClN2O4S/c1-11(20)24-9-7-13(15(21)22)10-19-16(23)18-8-6-12-2-4-14(17)5-3-12/h2-5,13H,6-10H2,1H3,(H,21,22)(H2,18,19,23)