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

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

Isomeric SMILES

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

InChI

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