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

Systemtic Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Openeye Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide CAS Name: N-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-methoxybenzamide IUPAC Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methoxybenzamide Traditional Name: N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Formula: C22H17BrN2O2S2 MolecularWeight: 485.41658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O2S2/c1-27-19-5-3-2-4-17(19)21(26)24-16-10-11-18-20(12-16)29-22(25-18)28-13-14-6-8-15(23)9-7-14/h2-12H,13H2,1H3,(H,24,26)