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

Systemtic Name: 4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(3-methylbutan-2-yl)benzamide Openeye Name: 4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-dimethylpropyl)benzamide CAS Name: 4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-(3-methylbutan-2-yl)benzamide IUPAC Name: 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(3-methylbutan-2-yl)benzamide Traditional Name: 4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-(1,2-dimethylpropyl)benzamide Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4OS/c1-15(2)16(3)24-21(28)18-9-7-17(8-10-18)14-29-22-25-19(23)13-20(26-22)27-11-5-4-6-12-27/h7-10,13,15-16H,4-6,11-12,14H2,1-3H3,(H,24,28)