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

Systemtic Name: (4-chlorophenyl) N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 2-(4-chlorophenyl)-1-cyclohexyl-1-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)isothiourea CAS Name: N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)carbamimidothioic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 2-(4-chlorophenyl)-1-cyclohexyl-1-(4-hydroxybenzyl)-3-(4-methoxyphenyl)isothiourea Formula: C27H29ClN2O2S MolecularWeight: 481.04936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)O)C3CCCCC3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)O)C3CCCCC3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN2O2S/c1-32-25-15-11-22(12-16-25)29-27(33-26-17-9-21(28)10-18-26)30(23-5-3-2-4-6-23)19-20-7-13-24(31)14-8-20/h7-18,23,31H,2-6,19H2,1H3