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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-(ethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N4O3S/c1-2-22-20-15-6-3-4-7-16(15)24-21(25-20)29-13-19(26)23-14-8-9-17-18(12-14)28-11-5-10-27-17/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,23,26)(H,22,24,25)