1-(3,5-dimethylpiperidin-1-yl)-2-(2-propylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(2-propylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-(2-propylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(2-propylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-[(2-propylquinazolin-4-yl)thio]ethanone Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C20H27N3OS/c1-4-7-18-21-17-9-6-5-8-16(17)20(22-18)25-13-19(24)23-11-14(2)10-15(3)12-23/h5-6,8-9,14-15H,4,7,10-13H2,1-3H3