1-[3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotamide Formula: C31H34ClN5O3S MolecularWeight: 592.15136

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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)N4CCC(CC4)C(=O)N)Cl)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)Cl)C5=CC=CC=C5

InChI

InChI=1S/C31H34ClN5O3S/c1-21(38)31(25-8-3-2-4-9-25)12-16-36(17-13-31)27-19-26(32)34-30(35-27)41-20-22-6-5-7-24(18-22)29(40)37-14-10-23(11-15-37)28(33)39/h2-9,18-19,23H,10-17,20H2,1H3,(H2,33,39)