3-(4-tert-butylphenyl)-N-[[3,5-dimethyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[3,5-dimethyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)-3,5-dimethyl-phenyl]methyl]propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)-3,5-dimethylphenyl]methyl]propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)-3,5-dimethylphenyl]methyl]propanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-[4-(methanesulfonamido)-3,5-dimethyl-benzyl]thiopropionamide Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C)C)CNC(=S)CCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C)C)CNC(=S)CCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H32N2O2S2/c1-16-13-19(14-17(2)22(16)25-29(6,26)27)15-24-21(28)12-9-18-7-10-20(11-8-18)23(3,4)5/h7-8,10-11,13-14,25H,9,12,15H2,1-6H3,(H,24,28)