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

Systemtic Name: (4-chlorophenyl) N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]-N'-phenyl-carbamimidothioate Openeye Name: 2-(4-chlorophenyl)-1-cyclohexyl-1-[(4-hydroxyphenyl)methyl]-3-phenyl-isothiourea CAS Name: N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]-N'-phenylcarbamimidothioic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]-N'-phenylcarbamimidothioate Traditional Name: 2-(4-chlorophenyl)-1-cyclohexyl-1-(4-hydroxybenzyl)-3-phenyl-isothiourea Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)O)C(=NC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)O)C(=NC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2OS/c27-21-13-17-25(18-14-21)31-26(28-22-7-3-1-4-8-22)29(23-9-5-2-6-10-23)19-20-11-15-24(30)16-12-20/h1,3-4,7-8,11-18,23,30H,2,5-6,9-10,19H2