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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(2,6-dimethylphenyl)acetamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C18H18BrNO3S/c1-11-4-3-5-12(2)18(11)20-17(21)9-24-8-13-6-15-16(7-14(13)19)23-10-22-15/h3-7H,8-10H2,1-2H3,(H,20,21)