N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(5,7-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=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])C

InChI

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