N-(3-chloranyl-4-methyl-phenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(6-piperidinopyrimidin-4-yl)thio]acetamide Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCCC3)Cl

InChI

InChI=1S/C18H21ClN4OS/c1-13-5-6-14(9-15(13)19)22-17(24)11-25-18-10-16(20-12-21-18)23-7-3-2-4-8-23/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,22,24)