(4-methylphenyl) N'-(1-ethanoylpiperidin-4-yl)carbonyl-N-[(4-hydroxyphenyl)methyl]-N-(phenylmethyl)carbamimidothioate

Systemtic Name: (4-methylphenyl) N'-(1-ethanoylpiperidin-4-yl)carbonyl-N-[(4-hydroxyphenyl)methyl]-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-acetyl-N-[[benzyl-[(4-hydroxyphenyl)methyl]amino]-(p-tolylsulfanyl)methylene]piperidine-4-carboxamide CAS Name: N'-[(1-acetyl-4-piperidinyl)-oxomethyl]-N-[(4-hydroxyphenyl)methyl]-N-(phenylmethyl)carbamimidothioic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) N'-(1-acetylpiperidine-4-carbonyl)-N-benzyl-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Traditional Name: 1-acetyl-N-[[benzyl-(4-hydroxybenzyl)amino]-(p-tolylthio)methylene]isonipecotamide Formula: C30H33N3O3S MolecularWeight: 515.66632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=NC(=O)C2CCN(CC2)C(=O)C)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(=NC(=O)C2CCN(CC2)C(=O)C)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C30H33N3O3S/c1-22-8-14-28(15-9-22)37-30(31-29(36)26-16-18-32(19-17-26)23(2)34)33(20-24-6-4-3-5-7-24)21-25-10-12-27(35)13-11-25/h3-15,26,35H,16-21H2,1-2H3