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

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[3-iodanyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-[[3-iodo-4-(methanesulfonamido)phenyl]methyl]propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-[[3-iodo-4-(methanesulfonamido)phenyl]methyl]propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[[3-iodo-4-(methanesulfonamido)phenyl]methyl]propanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-[3-iodo-4-(methanesulfonamido)benzyl]thiopropionamide Formula: C21H27IN2O2S2 MolecularWeight: 530.48575

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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)NS(=O)(=O)C)I

Isomeric SMILES

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

InChI

InChI=1S/C21H27IN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)