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

Systemtic Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Openeye Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-methyl-benzamide CAS Name: N-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]-3-methylbenzamide IUPAC Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-methylbenzamide Traditional Name: N-[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C26H26N2OS2 MolecularWeight: 446.62744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H26N2OS2/c1-17-6-5-7-19(14-17)24(29)27-21-12-13-22-23(15-21)31-25(28-22)30-16-18-8-10-20(11-9-18)26(2,3)4/h5-15H,16H2,1-4H3,(H,27,29)