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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C18H24N2O3S/c1-12(2)18(4,11-19)20-17(21)13(3)24-14-6-7-15-16(10-14)23-9-5-8-22-15/h6-7,10,12-13H,5,8-9H2,1-4H3,(H,20,21)