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

Systemtic Name: 3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-hexylbenzamide Traditional Name: 3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-hexyl-benzamide Formula: C23H31ClN4OS MolecularWeight: 447.03644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

InChI

InChI=1S/C23H31ClN4OS/c1-2-3-4-6-12-25-22(29)19-11-9-10-18(15-19)17-30-23-26-20(24)16-21(27-23)28-13-7-5-8-14-28/h9-11,15-16H,2-8,12-14,17H2,1H3,(H,25,29)