N-(1,3-benzodioxol-5-yl)-3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromo-2-fluorophenyl)methylthio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromo-2-fluorophenyl)methylsulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromo-2-fluoro-benzyl)thio]propionamide Formula: C17H15BrFNO3S MolecularWeight: 412.273303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSCC3=C(C=C(C=C3)Br)F

InChI

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