2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-isobutyl-acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-isobutyl-acetamide Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSCC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CC(C)CNC(=O)CSCC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C14H18BrNO3S/c1-9(2)5-16-14(17)7-20-6-10-3-12-13(4-11(10)15)19-8-18-12/h3-4,9H,5-8H2,1-2H3,(H,16,17)