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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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