2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(4-fluorobenzyl)acetamide Formula: C17H15BrFNO3S MolecularWeight: 412.273303

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSCC(=O)NCC3=CC=C(C=C3)F)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSCC(=O)NCC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C17H15BrFNO3S/c18-14-6-16-15(22-10-23-16)5-12(14)8-24-9-17(21)20-7-11-1-3-13(19)4-2-11/h1-6H,7-10H2,(H,20,21)