N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-furan-2-carboxamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-furan-2-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitro-2-furancarboxamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrofuran-2-carboxamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-2-furamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-14-12-16-18(13-15(14)2)31-21(22-16)24(7-3-6-23-8-10-29-11-9-23)20(26)17-4-5-19(30-17)25(27)28/h4-5,12-13H,3,6-11H2,1-2H3