3-[[2-(dimethylcarbamoylsulfanyl)-2-methyl-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid

Systemtic Name: 3-[[2-(dimethylcarbamoylsulfanyl)-2-methyl-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid Openeye Name: 3-[[2-(dimethylcarbamoylsulfanyl)-2-methyl-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid CAS Name: 3-[[2-[[dimethylamino(oxo)methyl]thio]-2-methyl-1-oxo-3-phenylpropyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[2-(dimethylcarbamoylsulfanyl)-2-methyl-3-phenylpropanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-(dimethylcarbamoylthio)-2-methyl-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(C)(CC2=CC=CC=C2)SC(=O)N(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(C)(CC2=CC=CC=C2)SC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-14-16(18(24)25)11-8-12-17(14)22-19(26)21(2,28-20(27)23(3)4)13-15-9-6-5-7-10-15/h5-12H,13H2,1-4H3,(H,22,26)(H,24,25)