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

Systemtic Name: 4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-(phenylmethyl)piperazin-1-yl]-4-oxidanylidene-butanethial Openeye Name: 4-[4-benzyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)piperazin-1-yl]-4-oxo-butanethial CAS Name: 4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-(phenylmethyl)-1-piperazinyl]-4-oxobutanethial IUPAC Name: 4-[4-benzyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)piperazin-1-yl]-4-oxobutanethial Traditional Name: 4-[4-benzyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)piperazino]-4-keto-thiobutyraldehyde Formula: C29H40N2O2S MolecularWeight: 480.7051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O2S/c1-28(2,3)23-17-22(18-24(27(23)33)29(4,5)6)25-20-30(19-21-11-8-7-9-12-21)14-15-31(25)26(32)13-10-16-34/h7-9,11-12,16-18,25,33H,10,13-15,19-20H2,1-6H3