2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-isobutyl-acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-isobutyl-acetamide Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)CNC(=O)CSCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C16H22ClNO3S/c1-11(2)8-18-15(19)10-22-9-12-6-13(17)16-14(7-12)20-4-3-5-21-16/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,19)