(3-bromophenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate

Systemtic Name: (3-bromophenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate Openeye Name: (3-bromophenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-chlorophenyl)thio]phenyl]methyl]-1-piperazinecarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]benzyl]piperazine-1-carboxylic acid (3-bromobenzyl) ester Formula: C25H24BrClN2O2S MolecularWeight: 531.89226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OCC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H24BrClN2O2S/c26-21-6-3-4-19(16-21)18-31-25(30)29-14-12-28(13-15-29)17-20-5-1-2-7-24(20)32-23-10-8-22(27)9-11-23/h1-11,16H,12-15,17-18H2