1-(azepan-1-yl)-2-(2-ethylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(2-ethylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(2-ethylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(2-ethyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2-ethylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(2-ethylquinazolin-4-yl)thio]ethanone Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCCCCC3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3OS/c1-2-16-19-15-10-6-5-9-14(15)18(20-16)23-13-17(22)21-11-7-3-4-8-12-21/h5-6,9-10H,2-4,7-8,11-13H2,1H3