N-methyl-N-(phenylmethyl)-3-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-4-yl]propanamide

Systemtic Name: N-methyl-N-(phenylmethyl)-3-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-4-yl]propanamide Openeye Name: N-benzyl-N-methyl-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)-4-piperidyl]propanamide CAS Name: N-methyl-3-[1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-4-piperidinyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-methyl-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]propanamide Traditional Name: N-benzyl-N-methyl-3-[1-[2-(2-pyrimidylthio)acetyl]-4-piperidyl]propionamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CCC2CCN(CC2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CCC2CCN(CC2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C22H28N4O2S/c1-25(16-19-6-3-2-4-7-19)20(27)9-8-18-10-14-26(15-11-18)21(28)17-29-22-23-12-5-13-24-22/h2-7,12-13,18H,8-11,14-17H2,1H3