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

Systemtic Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C23H28N2OS2 MolecularWeight: 412.61122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

InChI=1S/C23H28N2OS2/c1-7-21(26)24-17-8-9-19-20(12-17)28-22(25-19)27-13-18-14(2)10-16(11-15(18)3)23(4,5)6/h8-12H,7,13H2,1-6H3,(H,24,26)