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

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[3-ethanoyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: N-[[3-acetyl-4-(methanesulfonamido)phenyl]methyl]-3-(4-tert-butylphenyl)propanethioamide CAS Name: N-[[3-acetyl-4-(methanesulfonamido)phenyl]methyl]-3-(4-tert-butylphenyl)propanethioamide IUPAC Name: N-[[3-acetyl-4-(methanesulfonamido)phenyl]methyl]-3-(4-tert-butylphenyl)propanethioamide Traditional Name: N-[3-acetyl-4-(methanesulfonamido)benzyl]-3-(4-tert-butylphenyl)thiopropionamide Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S2/c1-16(26)20-14-18(8-12-21(20)25-30(5,27)28)15-24-22(29)13-9-17-6-10-19(11-7-17)23(2,3)4/h6-8,10-12,14,25H,9,13,15H2,1-5H3,(H,24,29)