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

Systemtic Name: phenyl N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 1-cyclohexyl-1-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenyl-isothiourea CAS Name: N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)carbamimidothioic acid phenyl ester IUPAC Name: phenyl N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 1-cyclohexyl-1-(4-hydroxybenzyl)-3-(4-methoxyphenyl)-2-phenyl-isothiourea Formula: C27H30N2O2S MolecularWeight: 446.6043

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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2S/c1-31-25-18-14-22(15-19-25)28-27(32-26-10-6-3-7-11-26)29(23-8-4-2-5-9-23)20-21-12-16-24(30)17-13-21/h3,6-7,10-19,23,30H,2,4-5,8-9,20H2,1H3