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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(isopentylcarbamoyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(isoamylcarbamoyl)acetamide Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-12(2)6-7-18-17(21)19-16(20)11-24-13-4-5-14-15(10-13)23-9-3-8-22-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,18,19,20,21)