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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C28H31ClN4O3S MolecularWeight: 539.08874

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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)NCCOC)Cl)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClN4O3S/c1-20(34)28(23-9-4-3-5-10-23)11-14-33(15-12-28)25-18-24(29)31-27(32-25)37-19-21-7-6-8-22(17-21)26(35)30-13-16-36-2/h3-10,17-18H,11-16,19H2,1-2H3,(H,30,35)