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

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[3-chloranyl-5-methyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-[[3-chloro-4-(methanesulfonamido)-5-methyl-phenyl]methyl]propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-[[3-chloro-4-(methanesulfonamido)-5-methylphenyl]methyl]propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[[3-chloro-4-(methanesulfonamido)-5-methylphenyl]methyl]propanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-[3-chloro-4-(methanesulfonamido)-5-methyl-benzyl]thiopropionamide Formula: C22H29ClN2O2S2 MolecularWeight: 453.06086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CNC(=S)CCC2=CC=C(C=C2)C(C)(C)C)Cl)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)CNC(=S)CCC2=CC=C(C=C2)C(C)(C)C)Cl)NS(=O)(=O)C

InChI

InChI=1S/C22H29ClN2O2S2/c1-15-12-17(13-19(23)21(15)25-29(5,26)27)14-24-20(28)11-8-16-6-9-18(10-7-16)22(2,3)4/h6-7,9-10,12-13,25H,8,11,14H2,1-5H3,(H,24,28)