1-[3,5-bis[(2-tert-butyl-4-oxidanyl-phenyl)sulfanyl]-4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-[3,5-bis[(2-tert-butyl-4-oxidanyl-phenyl)sulfanyl]-4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-benzyl-3,5-bis[(2-tert-butyl-4-hydroxy-phenyl)sulfanyl]piperazin-1-yl]propan-1-one CAS Name: 1-[3,5-bis[(2-tert-butyl-4-hydroxyphenyl)thio]-4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-benzyl-3,5-bis[(2-tert-butyl-4-hydroxyphenyl)sulfanyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-benzyl-3,5-bis[(2-tert-butyl-4-hydroxy-phenyl)thio]piperazino]propan-1-one Formula: C34H44N2O3S2 MolecularWeight: 592.85476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC(N(C(C1)SC2=C(C=C(C=C2)O)C(C)(C)C)CC3=CC=CC=C3)SC4=C(C=C(C=C4)O)C(C)(C)C

Isomeric SMILES

CCC(=O)N1CC(N(C(C1)SC2=C(C=C(C=C2)O)C(C)(C)C)CC3=CC=CC=C3)SC4=C(C=C(C=C4)O)C(C)(C)C

InChI

InChI=1S/C34H44N2O3S2/c1-8-30(39)35-21-31(40-28-16-14-24(37)18-26(28)33(2,3)4)36(20-23-12-10-9-11-13-23)32(22-35)41-29-17-15-25(38)19-27(29)34(5,6)7/h9-19,31-32,37-38H,8,20-22H2,1-7H3