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

Systemtic Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide Openeye Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide CAS Name: N-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide IUPAC Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide Traditional Name: N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide Formula: C25H23BrN2OS2 MolecularWeight: 511.49692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2OS2/c1-25(2,3)18-8-6-17(7-9-18)23(29)27-20-12-13-21-22(14-20)31-24(28-21)30-15-16-4-10-19(26)11-5-16/h4-14H,15H2,1-3H3,(H,27,29)