1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyl]-N-phenyl-isonipecotamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-15-19(16(2)24-22(23-15)29-3)9-10-20(27)26-13-11-17(12-14-26)21(28)25-18-7-5-4-6-8-18/h4-8,17H,9-14H2,1-3H3,(H,25,28)