1-(azepan-1-yl)-2-(2-tert-butylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(2-tert-butylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(2-tert-butylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(2-tert-butyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2-tert-butylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(2-tert-butylquinazolin-4-yl)thio]ethanone Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3OS/c1-20(2,3)19-21-16-11-7-6-10-15(16)18(22-19)25-14-17(24)23-12-8-4-5-9-13-23/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3