1-(4-methylpiperazin-1-yl)-3-(4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl-propan-1-one hydrochloride

Systemtic Name: 1-(4-methylpiperazin-1-yl)-3-(4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl-propan-1-one hydrochloride Openeye Name: 3-(4-hydroxy-3,5-diphenyl-phenyl)sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride CAS Name: 3-[(4-hydroxy-3,5-diphenylphenyl)thio]-1-(4-methyl-1-piperazinyl)-1-propanone hydrochloride IUPAC Name: 3-(4-hydroxy-3,5-diphenylphenyl)sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride Traditional Name: 3-[(4-hydroxy-3,5-diphenyl-phenyl)thio]-1-(4-methylpiperazino)propan-1-one hydrochloride Formula: C26H29ClN2O2S MolecularWeight: 469.03866

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CCSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H28N2O2S.ClH/c1-27-13-15-28(16-14-27)25(29)12-17-31-22-18-23(20-8-4-2-5-9-20)26(30)24(19-22)21-10-6-3-7-11-21;/h2-11,18-19,30H,12-17H2,1H3;1H