N-(2-methoxy-4-nitro-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]acetamide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C22H23N5O5S/c1-31-19-12-15(27(29)30)6-7-18(19)24-21(28)14-33-22-16-4-2-3-5-17(16)23-20(25-22)13-26-8-10-32-11-9-26/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)