2-(diethylcarbamoylsulfanyl)-4-(4-phenylphenyl)butanoic acid

Systemtic Name: 2-(diethylcarbamoylsulfanyl)-4-(4-phenylphenyl)butanoic acid Openeye Name: 2-(diethylcarbamoylsulfanyl)-4-(4-phenylphenyl)butanoic acid CAS Name: 2-[[diethylamino(oxo)methyl]thio]-4-(4-phenylphenyl)butanoic acid IUPAC Name: 2-(diethylcarbamoylsulfanyl)-4-(4-phenylphenyl)butanoic acid Traditional Name: 2-(diethylcarbamoylthio)-4-(4-phenylphenyl)butyric acid Formula: C21H25NO3S MolecularWeight: 371.4931

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=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-3-22(4-2)21(25)26-19(20(23)24)15-12-16-10-13-18(14-11-16)17-8-6-5-7-9-17/h5-11,13-14,19H,3-4,12,15H2,1-2H3,(H,23,24)