2-(1,3-benzothiazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(cyanomethyl)-N-phenyl-acetamide Formula: C17H13N3OS2 MolecularWeight: 339.43462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13N3OS2/c18-10-11-20(13-6-2-1-3-7-13)16(21)12-22-17-19-14-8-4-5-9-15(14)23-17/h1-9H,11-12H2