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

Systemtic Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Openeye Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide CAS Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-methylbenzamide IUPAC Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylbenzamide Traditional Name: N-[2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C28H30N2OS2 MolecularWeight: 474.6806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C28H30N2OS2/c1-17-9-7-8-10-22(17)26(31)29-21-11-12-24-25(15-21)33-27(30-24)32-16-23-18(2)13-20(14-19(23)3)28(4,5)6/h7-15H,16H2,1-6H3,(H,29,31)