3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-(1,2-diphenylethyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(1,2-diphenylethyl)benzamide Formula: C39H37ClN4O2S MolecularWeight: 661.25468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C39H37ClN4O2S/c1-28(45)39(33-18-9-4-10-19-33)20-22-44(23-21-39)36-26-35(40)42-38(43-36)47-27-30-14-11-17-32(24-30)37(46)41-34(31-15-7-3-8-16-31)25-29-12-5-2-6-13-29/h2-19,24,26,34H,20-23,25,27H2,1H3,(H,41,46)