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

Systemtic Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methoxy-benzamide Openeye Name: N-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methoxy-benzamide CAS Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-4-methoxybenzamide IUPAC Name: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methoxybenzamide Traditional Name: N-[2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]-4-methoxy-benzamide Formula: C28H30N2O2S2 MolecularWeight: 490.68

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C)C(C)(C)C

InChI

InChI=1S/C28H30N2O2S2/c1-17-13-20(28(3,4)5)14-18(2)23(17)16-33-27-30-24-12-9-21(15-25(24)34-27)29-26(31)19-7-10-22(32-6)11-8-19/h7-15H,16H2,1-6H3,(H,29,31)