1-[(2-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(2-bromophenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-bromobenzyl)-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23BrN2S.C2H2O4/c1-23-18-8-6-16(7-9-18)14-21-10-12-22(13-11-21)15-17-4-2-3-5-19(17)20;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)