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

Systemtic Name: phenyl N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)-N-phenethyl-carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenethyl-2-phenyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)-N-phenethylcarbamimidothioic acid phenyl ester IUPAC Name: phenyl N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)-N-phenethylcarbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-3-(4-methoxyphenyl)-1-phenethyl-2-phenyl-isothiourea Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)O)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N=C(N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)O)SC4=CC=CC=C4

InChI

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