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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(1-piperidyl)ethyl]benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-[2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(2-piperidinoethyl)benzamide Formula: C32H38ClN5O2S MolecularWeight: 592.19442

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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)NCCN4CCCCC4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCN4CCCCC4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C32H38ClN5O2S/c1-24(39)32(27-11-4-2-5-12-27)13-18-38(19-14-32)29-22-28(33)35-31(36-29)41-23-25-9-8-10-26(21-25)30(40)34-15-20-37-16-6-3-7-17-37/h2,4-5,8-12,21-22H,3,6-7,13-20,23H2,1H3,(H,34,40)