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

Systemtic Name: phenyl N'-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]-N-phenethyl-carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]-1-phenethyl-2-phenyl-isothiourea CAS Name: N'-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]-N-phenethylcarbamimidothioic acid phenyl ester IUPAC Name: phenyl N'-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]-N-phenethylcarbamimidothioate Traditional Name: 3-(4-chlorophenyl)-1-(4-hydroxybenzyl)-1-phenethyl-2-phenyl-isothiourea Formula: C28H25ClN2OS MolecularWeight: 473.0289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)O)C(=NC3=CC=C(C=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)O)C(=NC3=CC=C(C=C3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C28H25ClN2OS/c29-24-13-15-25(16-14-24)30-28(33-27-9-5-2-6-10-27)31(20-19-22-7-3-1-4-8-22)21-23-11-17-26(32)18-12-23/h1-18,32H,19-21H2