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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

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