N-(3-chloranyl-2-piperidin-1-yl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-piperidin-1-yl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-chloro-2-(1-piperidyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-chloro-2-(1-piperidinyl)phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-piperidino-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C19H23ClN4OS MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=CC=C2)Cl)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=CC=C2)Cl)N3CCCCC3)C

InChI

InChI=1S/C19H23ClN4OS/c1-13-11-14(2)22-19(21-13)26-12-17(25)23-16-8-6-7-15(20)18(16)24-9-4-3-5-10-24/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,23,25)