1-(4-chlorophenyl)-N-[[(3S)-1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-[[(3S)-1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[[(3S)-1-(2-pyrimidin-2-ylsulfanylacetyl)-3-piperidyl]methyl]cyclopropanecarboxamide CAS Name: 1-(4-chlorophenyl)-N-[[(3S)-1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-3-piperidinyl]methyl]-1-cyclopropanecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[[(3S)-1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[[(3S)-1-[2-(2-pyrimidylthio)acetyl]-3-piperidyl]methyl]cyclopropanecarboxamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CSC2=NC=CC=N2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4O2S/c23-18-6-4-17(5-7-18)22(8-9-22)20(29)26-13-16-3-1-12-27(14-16)19(28)15-30-21-24-10-2-11-25-21/h2,4-7,10-11,16H,1,3,8-9,12-15H2,(H,26,29)/t16-/m0/s1