1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-2-[[2-(phenoxymethyl)quinazolin-4-yl]thio]ethanone Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3O2S/c1-17-9-8-10-18(2)27(17)23(28)16-30-24-20-13-6-7-14-21(20)25-22(26-24)15-29-19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3/t17-,18-/m1/s1