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

Systemtic Name: phenyl N'-(4-chlorophenyl)-N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-1-cyclohexyl-1-[(4-hydroxyphenyl)methyl]-2-phenyl-isothiourea CAS Name: N'-(4-chlorophenyl)-N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]carbamimidothioic acid phenyl ester IUPAC Name: phenyl N'-(4-chlorophenyl)-N-cyclohexyl-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(4-chlorophenyl)-1-cyclohexyl-1-(4-hydroxybenzyl)-2-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=C(C=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2OS/c27-21-13-15-22(16-14-21)28-26(31-25-9-5-2-6-10-25)29(23-7-3-1-4-8-23)19-20-11-17-24(30)18-12-20/h2,5-6,9-18,23,30H,1,3-4,7-8,19H2