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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-11(2)9-17-16(20)18-15(19)10-23-12-4-5-13-14(8-12)22-7-3-6-21-13/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H2,17,18,19,20)