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

Systemtic Name: N-(tert-butylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-16(2,3)18-15(20)17-14(19)10-23-11-5-6-12-13(9-11)22-8-4-7-21-12/h5-6,9H,4,7-8,10H2,1-3H3,(H2,17,18,19,20)