N-(2-cyano-3-methyl-butan-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H22N2O3S/c1-12(2)17(3,11-18)19-16(20)10-23-13-5-6-14-15(9-13)22-8-4-7-21-14/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,19,20)