N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-nitrobenzamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O6S/c1-31-18-7-8-19(32-2)21-20(18)24-23(34-21)26(10-4-9-25-11-13-33-14-12-25)22(28)16-5-3-6-17(15-16)27(29)30/h3,5-8,15H,4,9-14H2,1-2H3