N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-4-(methylthio)-3-nitro-benzamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-4-30-19-14-17(24-8-10-29-11-9-24)20(31-5-2)13-16(19)23-22(26)15-6-7-21(32-3)18(12-15)25(27)28/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,23,26)