1-[3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(4-methoxy-2-methyl-benzoyl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[3-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[3-(4-methoxy-2-methyl-benzoyl)piperidino]-2-(2-pyrimidylthio)ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H23N3O3S/c1-14-11-16(26-2)6-7-17(14)19(25)15-5-3-10-23(12-15)18(24)13-27-20-21-8-4-9-22-20/h4,6-9,11,15H,3,5,10,12-13H2,1-2H3