methyl N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: methyl N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-benzyl-1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-methyl-isothiourea CAS Name: N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-benzyl-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-benzyl-1-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-methyl-isothiourea Formula: C27H38N2OS MolecularWeight: 438.66842

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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(=NCC=C)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2OS/c1-9-15-28-25(31-8)29(18-20-13-11-10-12-14-20)19-21-16-22(26(2,3)4)24(30)23(17-21)27(5,6)7/h9-14,16-17,30H,1,15,18-19H2,2-8H3