N-[1-(4-methylsulfanylphenyl)ethyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-methylsulfanylphenyl)ethyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[1-(4-methylsulfanylphenyl)ethyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[1-[4-(methylthio)phenyl]ethyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[1-(4-methylsulfanylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[1-[4-(methylthio)phenyl]ethyl]-1-(2-pyrimidyl)isonipecotamide Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)C2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)C2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H24N4OS/c1-14(15-4-6-17(25-2)7-5-15)22-18(24)16-8-12-23(13-9-16)19-20-10-3-11-21-19/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,22,24)