2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C20H19N3O2S/c1-14-10-15(2)12-16(11-14)23(9-5-8-21)19(24)13-26-20-22-17-6-3-4-7-18(17)25-20/h3-4,6-7,10-12H,5,9,13H2,1-2H3