N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-oxo-3-(3-pyridyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-oxo-3-(3-pyridinyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-keto-3-(3-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CN=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CN=CC=C5)OC1

InChI

InChI=1S/C24H20N4O4S/c29-22(26-16-8-9-20-21(13-16)32-12-4-11-31-20)15-33-24-27-19-7-2-1-6-18(19)23(30)28(24)17-5-3-10-25-14-17/h1-3,5-10,13-14H,4,11-12,15H2,(H,26,29)