1-(azepan-1-yl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(2-benzylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2-benzylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(2-benzylquinazolin-4-yl)thio]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c27-22(26-14-8-1-2-9-15-26)17-28-23-19-12-6-7-13-20(19)24-21(25-23)16-18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2