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

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-[(4-tert-butylphenyl)methyl]piperazine Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-[(4-tert-butylphenyl)methyl]piperazine CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-4-[(4-tert-butylphenyl)methyl]piperazine IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]-4-[(4-tert-butylphenyl)methyl]piperazine Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]-4-(4-tert-butylbenzyl)piperazine Formula: C30H37BrN2OS MolecularWeight: 553.59658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3SCC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3SCC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C30H37BrN2OS/c1-30(2,3)26-11-9-23(10-12-26)20-32-15-17-33(18-16-32)21-24-7-5-6-8-29(24)35-22-25-19-27(31)13-14-28(25)34-4/h5-14,19H,15-18,20-22H2,1-4H3