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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzothiophene-2-carboxamide Formula: C25H26N4O4S2 MolecularWeight: 510.62834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])C

InChI

InChI=1S/C25H26N4O4S2/c1-16-4-6-21-23(17(16)2)26-25(35-21)28(9-3-8-27-10-12-33-13-11-27)24(30)22-15-18-14-19(29(31)32)5-7-20(18)34-22/h4-7,14-15H,3,8-13H2,1-2H3