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

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[3-cyano-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-[[3-cyano-4-(methanesulfonamido)phenyl]methyl]propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-[[3-cyano-4-(methanesulfonamido)phenyl]methyl]propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[[3-cyano-4-(methanesulfonamido)phenyl]methyl]propanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-[3-cyano-4-(methanesulfonamido)benzyl]thiopropionamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)C#N

InChI

InChI=1S/C22H27N3O2S2/c1-22(2,3)19-9-5-16(6-10-19)8-12-21(28)24-15-17-7-11-20(18(13-17)14-23)25-29(4,26)27/h5-7,9-11,13,25H,8,12,15H2,1-4H3,(H,24,28)