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

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

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O4S2/c1-2-17-5-3-6-21-23(17)26-25(35-21)28(10-4-9-27-11-13-33-14-12-27)24(30)22-16-18-15-19(29(31)32)7-8-20(18)34-22/h3,5-8,15-16H,2,4,9-14H2,1H3