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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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