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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-methyl-N-phenyl-acetamide Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H16BrNO3S/c1-19(13-5-3-2-4-6-13)17(20)10-23-9-12-7-15-16(8-14(12)18)22-11-21-15/h2-8H,9-11H2,1H3