3-(4-tert-butylphenyl)-N-[[3-ethanoyl-5-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[3-ethanoyl-5-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: N-[[3-acetyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(4-tert-butylphenyl)propanethioamide CAS Name: N-[[3-acetyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(4-tert-butylphenyl)propanethioamide IUPAC Name: N-[[3-acetyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(4-tert-butylphenyl)propanethioamide Traditional Name: N-[3-acetyl-5-fluoro-4-(methanesulfonamido)benzyl]-3-(4-tert-butylphenyl)thiopropionamide Formula: C23H29FN2O3S2 MolecularWeight: 464.616363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1NS(=O)(=O)C)F)CNC(=S)CCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1NS(=O)(=O)C)F)CNC(=S)CCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H29FN2O3S2/c1-15(27)19-12-17(13-20(24)22(19)26-31(5,28)29)14-25-21(30)11-8-16-6-9-18(10-7-16)23(2,3)4/h6-7,9-10,12-13,26H,8,11,14H2,1-5H3,(H,25,30)