methyl N,N'-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)carbamimidothioate

Systemtic Name: methyl N,N'-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)carbamimidothioate Openeye Name: 1,3-bis(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-isothiourea CAS Name: N,N'-bis(3,5-ditert-butyl-4-hydroxyphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis(3,5-ditert-butyl-4-hydroxyphenyl)carbamimidothioate Traditional Name: 1,3-bis(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-isothiourea Formula: C30H46N2O2S MolecularWeight: 498.76344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC

InChI

InChI=1S/C30H46N2O2S/c1-27(2,3)20-14-18(15-21(24(20)33)28(4,5)6)31-26(35-13)32-19-16-22(29(7,8)9)25(34)23(17-19)30(10,11)12/h14-17,33-34H,1-13H3,(H,31,32)