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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-5-nitro-benzothiophene-2-carboxamide Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S2/c27-21(20-14-15-13-16(26(28)29)5-6-18(15)31-20)25(8-7-24-9-11-30-12-10-24)22-23-17-3-1-2-4-19(17)32-22/h1-6,13-14H,7-12H2