1-[3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(4-phenoxybenzoyl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[3-[oxo-(4-phenoxyphenyl)methyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[3-(4-phenoxybenzoyl)piperidino]-2-(2-pyrimidylthio)ethanone Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3S/c28-22(17-31-24-25-13-5-14-26-24)27-15-4-6-19(16-27)23(29)18-9-11-21(12-10-18)30-20-7-2-1-3-8-20/h1-3,5,7-14,19H,4,6,15-17H2