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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-ethanone CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethanone Formula: C27H38N2O2S MolecularWeight: 454.66782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C27H38N2O2S/c1-26(2,3)22-16-21(17-23(25(22)31)27(4,5)6)32-19-24(30)29-14-12-28(13-15-29)18-20-10-8-7-9-11-20/h7-11,16-17,31H,12-15,18-19H2,1-6H3