1-[(3S)-3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-[1,2-dihydroacenaphthylen-5-yl(oxo)methyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)piperidino]-2-(2-pyrimidylthio)ethanone Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=NC=CC=N2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C24H23N3O2S/c28-21(15-30-24-25-11-3-12-26-24)27-13-2-5-18(14-27)23(29)20-10-9-17-8-7-16-4-1-6-19(20)22(16)17/h1,3-4,6,9-12,18H,2,5,7-8,13-15H2/t18-/m0/s1