2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,5-dimethylphenyl)ethanamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(2,5-dimethylphenyl)acetamide Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H20BrNO3S/c1-12-3-4-13(2)16(7-12)21-19(22)11-25-10-14-8-17-18(9-15(14)20)24-6-5-23-17/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,21,22)