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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-thiophene-2-carboxamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S2/c1-14-3-4-15-17(13-14)30-20(21-15)23(8-2-7-22-9-11-28-12-10-22)19(25)16-5-6-18(29-16)24(26)27/h3-6,13H,2,7-12H2,1H3