2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)OC1

InChI

InChI=1S/C20H19N3O4S/c21-18(24)11-23-19(22-15-5-2-1-4-14(15)20(23)25)12-28-13-6-7-16-17(10-13)27-9-3-8-26-16/h1-2,4-7,10H,3,8-9,11-12H2,(H2,21,24)