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

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[3-methyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)-3-methyl-phenyl]methyl]propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)-3-methylphenyl]methyl]propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)-3-methylphenyl]methyl]propanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-[4-(methanesulfonamido)-3-methyl-benzyl]thiopropionamide Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=S)CCC2=CC=C(C=C2)C(C)(C)C)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=S)CCC2=CC=C(C=C2)C(C)(C)C)NS(=O)(=O)C

InChI

InChI=1S/C22H30N2O2S2/c1-16-14-18(8-12-20(16)24-28(5,25)26)15-23-21(27)13-9-17-6-10-19(11-7-17)22(2,3)4/h6-8,10-12,14,24H,9,13,15H2,1-5H3,(H,23,27)