3-(4-tert-butylphenyl)-N-[[2-chloranyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[2-chloranyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]propanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-[2-chloro-4-(methanesulfonamido)benzyl]thiopropionamide Formula: C21H27ClN2O2S2 MolecularWeight: 439.03428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)7-12-20(27)23-14-16-8-11-18(13-19(16)22)24-28(4,25)26/h5-6,8-11,13,24H,7,12,14H2,1-4H3,(H,23,27)