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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C18H15N3OS2 MolecularWeight: 353.4612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3OS2/c19-11-6-12-21(14-7-2-1-3-8-14)17(22)13-23-18-20-15-9-4-5-10-16(15)24-18/h1-5,7-10H,6,12-13H2