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

Systemtic Name: 1-(4-methoxy-3-methylsulfanyl-phenyl)-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanone hydrobromide Openeye Name: 1-(4-methoxy-3-methylsulfanyl-phenyl)-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethanone hydrobromide CAS Name: 1-[4-methoxy-3-(methylthio)phenyl]-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanone hydrobromide IUPAC Name: 1-(4-methoxy-3-methylsulfanylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanone hydrobromide Traditional Name: 1-[4-methoxy-3-(methylthio)phenyl]-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethanone hydrobromide Formula: C21H28BrNO3S MolecularWeight: 454.42092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3S.BrH/c1-15(5-6-16-7-10-18(24-2)11-8-16)22-14-19(23)17-9-12-20(25-3)21(13-17)26-4;/h7-13,15,22H,5-6,14H2,1-4H3;1H