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

Systemtic Name: ethyl 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-ethyl-isothiourea CAS Name: N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl 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-ethyl-isothiourea Formula: C28H40N2OS MolecularWeight: 452.695

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NCC=C)N(CC1=CC=CC=C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCSC(=NCC=C)N(CC1=CC=CC=C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C28H40N2OS/c1-9-16-29-26(32-10-2)30(19-21-14-12-11-13-15-21)20-22-17-23(27(3,4)5)25(31)24(18-22)28(6,7)8/h9,11-15,17-18,31H,1,10,16,19-20H2,2-8H3