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

Systemtic Name: (4-chlorophenyl) N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)-N-phenethyl-carbamimidothioate Openeye Name: 2-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenethyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)-N-phenethylcarbamimidothioic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)-N-phenethylcarbamimidothioate Traditional Name: 2-(4-chlorophenyl)-1-(4-hydroxybenzyl)-3-(4-methoxyphenyl)-1-phenethyl-isothiourea Formula: C29H27ClN2O2S MolecularWeight: 503.05488

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN2O2S/c1-34-27-15-11-25(12-16-27)31-29(35-28-17-9-24(30)10-18-28)32(20-19-22-5-3-2-4-6-22)21-23-7-13-26(33)14-8-23/h2-18,33H,19-21H2,1H3