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

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-cycloheptyl-piperazine Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-cycloheptyl-piperazine CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-4-cycloheptylpiperazine IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]-4-cycloheptylpiperazine Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]-4-cycloheptyl-piperazine Formula: C26H35BrN2OS MolecularWeight: 503.5379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCN(CC3)C4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCN(CC3)C4CCCCCC4

InChI

InChI=1S/C26H35BrN2OS/c1-30-25-13-12-23(27)18-22(25)20-31-26-11-7-6-8-21(26)19-28-14-16-29(17-15-28)24-9-4-2-3-5-10-24/h6-8,11-13,18,24H,2-5,9-10,14-17,19-20H2,1H3