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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-thiophene-2-carboxamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N4O4S2/c1-14-4-5-16-19(15(14)2)22-21(31-16)24(9-3-8-23-10-12-29-13-11-23)20(26)17-6-7-18(30-17)25(27)28/h4-7H,3,8-13H2,1-2H3