phenyl N-[(4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-N'-phenyl-carbamimidothioate

Systemtic Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-N'-phenyl-carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-2,3-diphenyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-N'-phenylcarbamimidothioic acid phenyl ester IUPAC Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-N'-phenylcarbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-1-[2-(4-methoxyphenyl)ethyl]-2,3-diphenyl-isothiourea Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O2S/c1-33-27-18-14-23(15-19-27)20-21-31(22-24-12-16-26(32)17-13-24)29(30-25-8-4-2-5-9-25)34-28-10-6-3-7-11-28/h2-19,32H,20-22H2,1H3