1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-(ethylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]ethanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21N3O3S/c1-2-22-20-15-6-3-4-7-16(15)23-21(24-20)28-13-17(25)14-8-9-18-19(12-14)27-11-5-10-26-18/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,22,23,24)