(4-methylphenyl) N-[(4-hydroxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)carbamimidothioate

Systemtic Name: (4-methylphenyl) N-[(4-hydroxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-2-(p-tolyl)-1-[2-(2-pyridyl)ethyl]isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-[2-(2-pyridinyl)ethyl]carbamimidothioic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) N-[(4-hydroxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)carbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-2-(p-tolyl)-1-[2-(2-pyridyl)ethyl]isothiourea Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=N)N(CCC2=CC=CC=N2)CC3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(=N)N(CCC2=CC=CC=N2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C22H23N3OS/c1-17-5-11-21(12-6-17)27-22(23)25(15-13-19-4-2-3-14-24-19)16-18-7-9-20(26)10-8-18/h2-12,14,23,26H,13,15-16H2,1H3