3-[4-(phenylmethyl)piperazin-1-yl]-1-(4-phenylsulfanylphenyl)propan-1-one dihydrochloride

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]-1-(4-phenylsulfanylphenyl)propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-phenylsulfanylphenyl)propan-1-one dihydrochloride CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]-1-[4-(phenylthio)phenyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(4-phenylsulfanylphenyl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-[4-(phenylthio)phenyl]propan-1-one dihydrochloride Formula: C26H30Cl2N2OS MolecularWeight: 489.5002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)SC3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)SC3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C26H28N2OS.2ClH/c29-26(23-11-13-25(14-12-23)30-24-9-5-2-6-10-24)15-16-27-17-19-28(20-18-27)21-22-7-3-1-4-8-22;;/h1-14H,15-21H2;2*1H