N-[2-[(3-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[(3-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxy-ethanamide Openeye Name: N-[2-[(3-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxy-acetamide CAS Name: N-[2-[(3-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-phenoxyacetamide IUPAC Name: N-[2-[(3-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxyacetamide Traditional Name: N-[2-[(3-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-2-phenoxy-acetamide Formula: C22H17BrN2O2S2 MolecularWeight: 485.41658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O2S2/c23-16-6-4-5-15(11-16)14-28-22-25-19-10-9-17(12-20(19)29-22)24-21(26)13-27-18-7-2-1-3-8-18/h1-12H,13-14H2,(H,24,26)