N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanesulfonamide

Systemtic Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanesulfonamide Openeye Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanesulfonamide CAS Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]methanesulfonamide IUPAC Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanesulfonamide Traditional Name: N-[2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]methanesulfonamide Formula: C21H26N2O2S3 MolecularWeight: 434.63834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C)C)C(C)(C)C

InChI

InChI=1S/C21H26N2O2S3/c1-13-9-15(21(3,4)5)10-14(2)17(13)12-26-20-22-18-8-7-16(11-19(18)27-20)23-28(6,24)25/h7-11,23H,12H2,1-6H3