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

Systemtic Name: 3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(4-fluorophenyl)benzamide Openeye Name: 3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide CAS Name: 3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-(4-fluorophenyl)benzamide IUPAC Name: 3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(4-fluorophenyl)benzamide Traditional Name: 3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-(4-fluorophenyl)benzamide Formula: C23H22ClFN4OS MolecularWeight: 456.963383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C23H22ClFN4OS/c24-20-14-21(29-11-2-1-3-12-29)28-23(27-20)31-15-16-5-4-6-17(13-16)22(30)26-19-9-7-18(25)8-10-19/h4-10,13-14H,1-3,11-12,15H2,(H,26,30)