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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(3-methoxyphenyl)acetamide Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H16BrNO4S/c1-21-13-4-2-3-12(6-13)19-17(20)9-24-8-11-5-15-16(7-14(11)18)23-10-22-15/h2-7H,8-10H2,1H3,(H,19,20)