2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide Formula: C20H19N3OS2 MolecularWeight: 381.51436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H19N3OS2/c1-14-8-9-16(12-15(14)2)23(11-5-10-21)19(24)13-25-20-22-17-6-3-4-7-18(17)26-20/h3-4,6-9,12H,5,11,13H2,1-2H3