1-(azepan-1-yl)-2-(6-methoxy-2-phenyl-quinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6-methoxy-2-phenyl-quinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(6-methoxy-2-phenyl-quinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(6-methoxy-2-phenyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(6-methoxy-2-phenyl-quinazolin-4-yl)thio]ethanone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-28-18-11-12-20-19(15-18)23(25-22(24-20)17-9-5-4-6-10-17)29-16-21(27)26-13-7-2-3-8-14-26/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3