(4-methylphenyl) N-[(4-hydroxyphenyl)methyl]-N-(phenylmethyl)-N'-pyridin-4-ylcarbonyl-carbamimidothioate

Systemtic Name: (4-methylphenyl) N-[(4-hydroxyphenyl)methyl]-N-(phenylmethyl)-N'-pyridin-4-ylcarbonyl-carbamimidothioate Openeye Name: N-[[benzyl-[(4-hydroxyphenyl)methyl]amino]-(p-tolylsulfanyl)methylene]pyridine-4-carboxamide CAS Name: N-[(4-hydroxyphenyl)methyl]-N'-[oxo(pyridin-4-yl)methyl]-N-(phenylmethyl)carbamimidothioic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) N-benzyl-N-[(4-hydroxyphenyl)methyl]-N'-(pyridine-4-carbonyl)carbamimidothioate Traditional Name: N-[[benzyl-(4-hydroxybenzyl)amino]-(p-tolylthio)methylene]isonicotinamide Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=NC(=O)C2=CC=NC=C2)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(=NC(=O)C2=CC=NC=C2)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C28H25N3O2S/c1-21-7-13-26(14-8-21)34-28(30-27(33)24-15-17-29-18-16-24)31(19-22-5-3-2-4-6-22)20-23-9-11-25(32)12-10-23/h2-18,32H,19-20H2,1H3