2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]acetamide Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H18BrNO4S/c1-12(22)13-2-4-15(5-3-13)21-19(23)11-26-10-14-8-17-18(9-16(14)20)25-7-6-24-17/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,23)