N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[2-(piperonylcarbamoyl)phenyl]benzothiophene-2-carboxamide Formula: C24H17FN2O4S MolecularWeight: 448.466183

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CC5=C(C=CC=C5S4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CC5=C(C=CC=C5S4)F

InChI

InChI=1S/C24H17FN2O4S/c25-17-5-3-7-21-16(17)11-22(32-21)24(29)27-18-6-2-1-4-15(18)23(28)26-12-14-8-9-19-20(10-14)31-13-30-19/h1-11H,12-13H2,(H,26,28)(H,27,29)