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

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

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S2/c1-2-15-5-3-6-16-19(15)22-21(31-16)24(10-4-9-23-11-13-29-14-12-23)20(26)17-7-8-18(30-17)25(27)28/h3,5-8H,2,4,9-14H2,1H3