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

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[3-ethynyl-5-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-[3-ethynyl-5-fluoro-4-(methanesulfonamido)benzyl]thiopropionamide Formula: C23H27FN2O2S2 MolecularWeight: 446.601083

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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#C)NS(=O)(=O)C)F

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O2S2/c1-6-18-13-17(14-20(24)22(18)26-30(5,27)28)15-25-21(29)12-9-16-7-10-19(11-8-16)23(2,3)4/h1,7-8,10-11,13-14,26H,9,12,15H2,2-5H3,(H,25,29)