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

Systemtic Name: 3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide Openeye Name: 3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide CAS Name: 3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-(3,4-dimethylphenyl)benzamide IUPAC Name: 3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide Traditional Name: 3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-(3,4-dimethylphenyl)benzamide Formula: C25H27ClN4OS MolecularWeight: 467.02608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4)C

InChI

InChI=1S/C25H27ClN4OS/c1-17-9-10-21(13-18(17)2)27-24(31)20-8-6-7-19(14-20)16-32-25-28-22(26)15-23(29-25)30-11-4-3-5-12-30/h6-10,13-15H,3-5,11-12,16H2,1-2H3,(H,27,31)