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

Systemtic Name: methyl N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N'-ethyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-ethyl-2-methyl-isothiourea CAS Name: N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N'-ethyl-N-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzyl-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N'-ethylcarbamimidothioate Traditional Name: 1-benzyl-1-(3,5-ditert-butyl-4-hydroxy-benzyl)-3-ethyl-2-methyl-isothiourea Formula: C26H38N2OS MolecularWeight: 426.65772

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N(CC1=CC=CC=C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC

Isomeric SMILES

CCN=C(N(CC1=CC=CC=C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC

InChI

InChI=1S/C26H38N2OS/c1-9-27-24(30-8)28(17-19-13-11-10-12-14-19)18-20-15-21(25(2,3)4)23(29)22(16-20)26(5,6)7/h10-16,29H,9,17-18H2,1-8H3