2-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-N-(3,4-dimethylphenyl)acetamide Formula: C25H24BrNO3S MolecularWeight: 498.43196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H24BrNO3S/c1-16-8-9-22(10-17(16)2)27-23(28)15-31-14-20-12-21(26)11-19-13-29-25(30-24(19)20)18-6-4-3-5-7-18/h3-12,25H,13-15H2,1-2H3,(H,27,28)