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

Systemtic Name: 4-methoxy-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-methoxy-N-(6-morpholino-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-methoxy-N-[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-methoxy-N-(6-morpholino-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-27-16-5-2-12(10-15(16)23(25)26)18(24)21-19-20-14-4-3-13(11-17(14)29-19)22-6-8-28-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,20,21,24)