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

Systemtic Name: 1-[3-(3-bromophenyl)-3-phenylsulfanyl-propyl]-4-(3-chlorophenyl)piperazine hydrochloride Openeye Name: 1-[3-(3-bromophenyl)-3-phenylsulfanyl-propyl]-4-(3-chlorophenyl)piperazine hydrochloride CAS Name: 1-[3-(3-bromophenyl)-3-(phenylthio)propyl]-4-(3-chlorophenyl)piperazine hydrochloride IUPAC Name: 1-[3-(3-bromophenyl)-3-phenylsulfanylpropyl]-4-(3-chlorophenyl)piperazine hydrochloride Traditional Name: 1-[3-(3-bromophenyl)-3-(phenylthio)propyl]-4-(3-chlorophenyl)piperazine hydrochloride Formula: C25H27BrCl2N2S MolecularWeight: 538.37028

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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrClN2S.ClH/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;1H