3-(4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one hydrochloride

Systemtic Name: 3-(4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one hydrochloride Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4-hydroxy-3,5-diphenyl-phenyl)sulfanyl-propan-1-one hydrochloride CAS Name: 3-[(4-hydroxy-3,5-diphenylphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone hydrochloride IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfanylpropan-1-one hydrochloride Traditional Name: 1-(4-benzylpiperazino)-3-[(4-hydroxy-3,5-diphenyl-phenyl)thio]propan-1-one hydrochloride Formula: C32H33ClN2O2S MolecularWeight: 545.13462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCSC3=CC(=C(C(=C3)C4=CC=CC=C4)O)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCSC3=CC(=C(C(=C3)C4=CC=CC=C4)O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C32H32N2O2S.ClH/c35-31(34-19-17-33(18-20-34)24-25-10-4-1-5-11-25)16-21-37-28-22-29(26-12-6-2-7-13-26)32(36)30(23-28)27-14-8-3-9-15-27;/h1-15,22-23,36H,16-21,24H2;1H