N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N4O6S/c1-28-13-10-16(29-2)18-17(11-13)31-20(21-18)22-19(25)12-3-4-14(15(9-12)24(26)27)23-5-7-30-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,21,22,25)