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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-isopropyl-acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-propan-2-ylacetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-isopropyl-acetamide Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3S/c1-8(2)15-13(16)6-19-5-9-3-11-12(4-10(9)14)18-7-17-11/h3-4,8H,5-7H2,1-2H3,(H,15,16)