1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-cyclohexyl-piperazine

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-cyclohexyl-piperazine Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-cyclohexyl-piperazine CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-4-cyclohexylpiperazine IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]-4-cyclohexylpiperazine Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]-4-cyclohexyl-piperazine Formula: C25H33BrN2OS MolecularWeight: 489.51132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H33BrN2OS/c1-29-24-12-11-22(26)17-21(24)19-30-25-10-6-5-7-20(25)18-27-13-15-28(16-14-27)23-8-3-2-4-9-23/h5-7,10-12,17,23H,2-4,8-9,13-16,18-19H2,1H3