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

Systemtic Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]butyramide Formula: C24H30N2OS2 MolecularWeight: 426.6378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2OS2/c1-7-8-22(27)25-18-9-10-20-21(13-18)29-23(26-20)28-14-19-15(2)11-17(12-16(19)3)24(4,5)6/h9-13H,7-8,14H2,1-6H3,(H,25,27)