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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-fluorophenyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(2-fluorophenyl)benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-(2-fluorophenyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(2-fluorophenyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(2-fluorophenyl)benzamide Formula: C31H28ClFN4O2S MolecularWeight: 575.096023

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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)NC4=CC=CC=C4F)Cl)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4F)Cl)C5=CC=CC=C5

InChI

InChI=1S/C31H28ClFN4O2S/c1-21(38)31(24-10-3-2-4-11-24)14-16-37(17-15-31)28-19-27(32)35-30(36-28)40-20-22-8-7-9-23(18-22)29(39)34-26-13-6-5-12-25(26)33/h2-13,18-19H,14-17,20H2,1H3,(H,34,39)