N-[2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-fluorophenyl)-2-morpholino-ethyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-fluorophenyl)-2-morpholino-ethyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1COCCN1C(CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O4S/c22-16-3-1-14(2-4-16)18(24-7-9-29-10-8-24)13-23-21(26)20-12-15-11-17(25(27)28)5-6-19(15)30-20/h1-6,11-12,18H,7-10,13H2,(H,23,26)