2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-(3-methylsulfanyl-4-oxidanyl-phenyl)ethanone hydrobromide

Systemtic Name: 2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-(3-methylsulfanyl-4-oxidanyl-phenyl)ethanone hydrobromide Openeye Name: 1-(4-hydroxy-3-methylsulfanyl-phenyl)-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethanone hydrobromide CAS Name: 1-[4-hydroxy-3-(methylthio)phenyl]-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanone hydrobromide IUPAC Name: 1-(4-hydroxy-3-methylsulfanylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanone hydrobromide Traditional Name: 1-[4-hydroxy-3-(methylthio)phenyl]-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethanone hydrobromide Formula: C20H26BrNO3S MolecularWeight: 440.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(=O)C2=CC(=C(C=C2)O)SC.Br

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(=O)C2=CC(=C(C=C2)O)SC.Br

InChI

InChI=1S/C20H25NO3S.BrH/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3;/h6-12,14,21-22H,4-5,13H2,1-3H3;1H