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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzothiophene-2-carboxamide Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S2/c28-22(21-15-16-14-17(27(29)30)6-7-19(16)32-21)26(9-3-8-25-10-12-31-13-11-25)23-24-18-4-1-2-5-20(18)33-23/h1-2,4-7,14-15H,3,8-13H2