phenyl N-[(4-hydroxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N'-phenyl-carbamimidothioate

Systemtic Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N'-phenyl-carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-2,3-diphenyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N'-phenylcarbamimidothioic acid phenyl ester IUPAC Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N'-phenylcarbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-1-p-anisyl-2,3-diphenyl-isothiourea Formula: C28H26N2O2S MolecularWeight: 454.58324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)O)C(=NC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)O)C(=NC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O2S/c1-32-26-18-14-23(15-19-26)21-30(20-22-12-16-25(31)17-13-22)28(29-24-8-4-2-5-9-24)33-27-10-6-3-7-11-27/h2-19,31H,20-21H2,1H3