1-(3-methylsulfanyl-4-oxidanyl-phenyl)-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethanone hydrobromide

Systemtic Name: 1-(3-methylsulfanyl-4-oxidanyl-phenyl)-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethanone hydrobromide Openeye Name: 1-(4-hydroxy-3-methylsulfanyl-phenyl)-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethanone hydrobromide CAS Name: 1-[4-hydroxy-3-(methylthio)phenyl]-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethanone hydrobromide IUPAC Name: 1-(4-hydroxy-3-methylsulfanylphenyl)-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethanone hydrobromide Traditional Name: 1-[4-hydroxy-3-(methylthio)phenyl]-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethanone hydrobromide Formula: C20H26BrNO5S MolecularWeight: 472.39314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCNCC(=O)C2=CC(=C(C=C2)O)SC.Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCNCC(=O)C2=CC(=C(C=C2)O)SC.Br

InChI

InChI=1S/C20H25NO5S.BrH/c1-24-17-9-13(10-18(25-2)20(17)26-3)7-8-21-12-16(23)14-5-6-15(22)19(11-14)27-4;/h5-6,9-11,21-22H,7-8,12H2,1-4H3;1H