2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)thio]-N-(2,4,5-trimethoxybenzyl)acetamide Formula: C19H21BrFNO4S MolecularWeight: 458.341743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)CSCC2=C(C=C(C=C2)Br)F)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)CSCC2=C(C=C(C=C2)Br)F)OC)OC

InChI

InChI=1S/C19H21BrFNO4S/c1-24-16-8-18(26-3)17(25-2)6-13(16)9-22-19(23)11-27-10-12-4-5-14(20)7-15(12)21/h4-8H,9-11H2,1-3H3,(H,22,23)