2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C21H21N5O5S/c1-2-22-20-13-6-3-4-7-14(13)24-21(25-20)32-12-19(27)23-15-10-17-18(11-16(15)26(28)29)31-9-5-8-30-17/h3-4,6-7,10-11H,2,5,8-9,12H2,1H3,(H,23,27)(H,22,24,25)