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

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[3-cyano-5-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-[3-cyano-5-fluoro-4-(methanesulfonamido)benzyl]thiopropionamide Formula: C22H26FN3O2S2 MolecularWeight: 447.589143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O2S2/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(29)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,27)28/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,29)