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

Systemtic Name: 4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(1-phenylethyl)benzamide Openeye Name: 4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide CAS Name: 4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-(1-phenylethyl)benzamide IUPAC Name: 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(1-phenylethyl)benzamide Traditional Name: 4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-(1-phenylethyl)benzamide Formula: C25H27ClN4OS MolecularWeight: 467.02608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

InChI

InChI=1S/C25H27ClN4OS/c1-18(20-8-4-2-5-9-20)27-24(31)21-12-10-19(11-13-21)17-32-25-28-22(26)16-23(29-25)30-14-6-3-7-15-30/h2,4-5,8-13,16,18H,3,6-7,14-15,17H2,1H3,(H,27,31)