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

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(p-tolyl)acetamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO3S/c1-12-2-4-14(5-3-12)20-18(21)11-24-10-13-8-16-17(9-15(13)19)23-7-6-22-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,21)