2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-methylbutyl)ethanamide Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-isopentyl-acetamide CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-isoamyl-acetamide Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSCC1=CC2=C(C(=C1)Cl)OCCO2

Isomeric SMILES

CC(C)CCNC(=O)CSCC1=CC2=C(C(=C1)Cl)OCCO2

InChI

InChI=1S/C16H22ClNO3S/c1-11(2)3-4-18-15(19)10-22-9-12-7-13(17)16-14(8-12)20-5-6-21-16/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)