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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSCC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CCCCNC(=O)CSCC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C14H18BrNO3S/c1-2-3-4-16-14(17)8-20-7-10-5-12-13(6-11(10)15)19-9-18-12/h5-6H,2-4,7-9H2,1H3,(H,16,17)