3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-(phenylmethyl)piperazin-1-yl]-3-oxidanylidene-propanethial hydrochloride

Systemtic Name: 3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-(phenylmethyl)piperazin-1-yl]-3-oxidanylidene-propanethial hydrochloride Openeye Name: 3-[4-benzyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)piperazin-1-yl]-3-oxo-propanethial hydrochloride CAS Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-(phenylmethyl)-1-piperazinyl]-3-oxopropanethial hydrochloride IUPAC Name: 3-[4-benzyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)piperazin-1-yl]-3-oxopropanethial hydrochloride Traditional Name: 3-[4-benzyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)piperazino]-3-keto-thiopropionaldehyde hydrochloride Formula: C28H39ClN2O2S MolecularWeight: 503.13946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CN(CCN2C(=O)CC=S)CC3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CN(CCN2C(=O)CC=S)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C28H38N2O2S.ClH/c1-27(2,3)22-16-21(17-23(26(22)32)28(4,5)6)24-19-29(18-20-10-8-7-9-11-20)13-14-30(24)25(31)12-15-33;/h7-11,15-17,24,32H,12-14,18-19H2,1-6H3;1H