N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(7-morpholin-4-yl-6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(7-morpholin-4-yl-6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(7-morpholino-6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[7-(4-morpholinyl)-6-nitro-4-oxo-3-quinazolinyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(7-morpholin-4-yl-6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-keto-7-morpholino-6-nitro-quinazolin-3-yl)acetamide Formula: C23H22N6O5S MolecularWeight: 494.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC4=CC(=C(C=C4C3=O)[N+](=O)[O-])N5CCOCC5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC4=CC(=C(C=C4C3=O)[N+](=O)[O-])N5CCOCC5)C#N

InChI

InChI=1S/C23H22N6O5S/c24-11-16-14-3-1-2-4-20(14)35-22(16)26-21(30)12-28-13-25-17-10-18(27-5-7-34-8-6-27)19(29(32)33)9-15(17)23(28)31/h9-10,13H,1-8,12H2,(H,26,30)