N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,5-dimethylphenyl)acetamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C22H24N2O3S/c1-16-11-17(2)13-18(12-16)24(8-3-7-23)22(25)15-28-19-5-6-20-21(14-19)27-10-4-9-26-20/h5-6,11-14H,3-4,8-10,15H2,1-2H3