N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzothiophene-2-carboxamide Formula: C23H21FN4O4S2 MolecularWeight: 500.565643

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H21FN4O4S2/c24-16-2-4-18-20(14-16)34-23(25-18)27(7-1-6-26-8-10-32-11-9-26)22(29)21-13-15-12-17(28(30)31)3-5-19(15)33-21/h2-5,12-14H,1,6-11H2