1-[4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]piperazino]ethanone Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H25BrN2O2S/c1-16(25)24-11-9-23(10-12-24)14-17-5-3-4-6-21(17)27-15-18-13-19(22)7-8-20(18)26-2/h3-8,13H,9-12,14-15H2,1-2H3