N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-morpholino-3-nitro-benzamide Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O6S/c1-30-19-6-4-14(12-20(19)31-2)16-13-33-22(23-16)24-21(27)15-3-5-17(18(11-15)26(28)29)25-7-9-32-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27)