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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxy-ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxy-acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-phenoxyacetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxyacetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]-1,3-benzothiazol-6-yl]-2-phenoxy-acetamide Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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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=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H17N3O2S2/c24-13-16-6-4-5-7-17(16)15-29-23-26-20-11-10-18(12-21(20)30-23)25-22(27)14-28-19-8-2-1-3-9-19/h1-12H,14-15H2,(H,25,27)