1-[3-(3-bromophenyl)-3-phenylsulfanyl-propyl]-4-(3-chlorophenyl)piperazine

Systemtic Name: 1-[3-(3-bromophenyl)-3-phenylsulfanyl-propyl]-4-(3-chlorophenyl)piperazine Openeye Name: 1-[3-(3-bromophenyl)-3-phenylsulfanyl-propyl]-4-(3-chlorophenyl)piperazine CAS Name: 1-[3-(3-bromophenyl)-3-(phenylthio)propyl]-4-(3-chlorophenyl)piperazine IUPAC Name: 1-[3-(3-bromophenyl)-3-phenylsulfanylpropyl]-4-(3-chlorophenyl)piperazine Traditional Name: 1-[3-(3-bromophenyl)-3-(phenylthio)propyl]-4-(3-chlorophenyl)piperazine Formula: C25H26BrClN2S MolecularWeight: 501.90934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC(=CC=C2)Br)SC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1CCC(C2=CC(=CC=C2)Br)SC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H26BrClN2S/c26-21-7-4-6-20(18-21)25(30-24-10-2-1-3-11-24)12-13-28-14-16-29(17-15-28)23-9-5-8-22(27)19-23/h1-11,18-19,25H,12-17H2