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

Systemtic Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-benzamide Openeye Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-benzamide CAS Name: N-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-methylbenzamide IUPAC Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methylbenzamide Traditional Name: N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-4-methyl-benzamide Formula: C22H17BrN2OS2 MolecularWeight: 469.41718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2OS2/c1-14-2-6-16(7-3-14)21(26)24-18-10-11-19-20(12-18)28-22(25-19)27-13-15-4-8-17(23)9-5-15/h2-12H,13H2,1H3,(H,24,26)