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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholinopropyl)benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(3-morpholinopropyl)benzamide Formula: C32H38ClN5O3S MolecularWeight: 608.19382

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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)NCCCN4CCOCC4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCCN4CCOCC4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C32H38ClN5O3S/c1-24(39)32(27-9-3-2-4-10-27)11-15-38(16-12-32)29-22-28(33)35-31(36-29)42-23-25-7-5-8-26(21-25)30(40)34-13-6-14-37-17-19-41-20-18-37/h2-5,7-10,21-22H,6,11-20,23H2,1H3,(H,34,40)