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

Systemtic Name: 1-(azepan-1-yl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[2-(phenoxymethyl)quinazolin-4-yl]thio]ethanone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c27-22(26-14-8-1-2-9-15-26)17-29-23-19-12-6-7-13-20(19)24-21(25-23)16-28-18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2