4-[4-(2-chlorophenyl)phenyl]-2-(diethylcarbamoylsulfanyl)butanoic acid

Systemtic Name: 4-[4-(2-chlorophenyl)phenyl]-2-(diethylcarbamoylsulfanyl)butanoic acid Openeye Name: 4-[4-(2-chlorophenyl)phenyl]-2-(diethylcarbamoylsulfanyl)butanoic acid CAS Name: 4-[4-(2-chlorophenyl)phenyl]-2-[[diethylamino(oxo)methyl]thio]butanoic acid IUPAC Name: 4-[4-(2-chlorophenyl)phenyl]-2-(diethylcarbamoylsulfanyl)butanoic acid Traditional Name: 4-[4-(2-chlorophenyl)phenyl]-2-(diethylcarbamoylthio)butyric acid Formula: C21H24ClNO3S MolecularWeight: 405.93816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C21H24ClNO3S/c1-3-23(4-2)21(26)27-19(20(24)25)14-11-15-9-12-16(13-10-15)17-7-5-6-8-18(17)22/h5-10,12-13,19H,3-4,11,14H2,1-2H3,(H,24,25)