4,5-dimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-(2-morpholino-1,3-benzothiazol-6-yl)-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-(2-morpholino-1,3-benzothiazol-6-yl)-2-nitro-benzamide Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-])OC

InChI

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