O-(4-methylpiperazin-1-yl) [(3,5-ditert-butyl-4-oxidanyl-phenyl)-phenyl-methyl]sulfanylmethanethioate

Systemtic Name: O-(4-methylpiperazin-1-yl) [(3,5-ditert-butyl-4-oxidanyl-phenyl)-phenyl-methyl]sulfanylmethanethioate Openeye Name: O-(4-methylpiperazin-1-yl) [(3,5-ditert-butyl-4-hydroxy-phenyl)-phenyl-methyl]sulfanylmethanethioate CAS Name: [[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]thio]methanethioic acid O-(4-methyl-1-piperazinyl) ester IUPAC Name: O-(4-methylpiperazin-1-yl) [(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]sulfanylmethanethioate Traditional Name: [[(3,5-ditert-butyl-4-hydroxy-phenyl)-phenyl-methyl]thio]methanethioic acid O-(4-methylpiperazino) ester Formula: C27H38N2O2S2 MolecularWeight: 486.73282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=CC=C2)SC(=S)ON3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=CC=C2)SC(=S)ON3CCN(CC3)C

InChI

InChI=1S/C27H38N2O2S2/c1-26(2,3)21-17-20(18-22(23(21)30)27(4,5)6)24(19-11-9-8-10-12-19)33-25(32)31-29-15-13-28(7)14-16-29/h8-12,17-18,24,30H,13-16H2,1-7H3