methyl N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N'-methyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N'-methyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2,3-dimethyl-isothiourea CAS Name: N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N'-methyl-N-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzyl-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N'-methylcarbamimidothioate Traditional Name: 1-benzyl-1-(3,5-ditert-butyl-4-hydroxy-benzyl)-2,3-dimethyl-isothiourea Formula: C25H36N2OS MolecularWeight: 412.63114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(CC2=CC=CC=C2)C(=NC)SC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(CC2=CC=CC=C2)C(=NC)SC

InChI

InChI=1S/C25H36N2OS/c1-24(2,3)20-14-19(15-21(22(20)28)25(4,5)6)17-27(23(26-7)29-8)16-18-12-10-9-11-13-18/h9-15,28H,16-17H2,1-8H3