3-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-1,1-dioxo-benzothiophene-2-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-1,1-dioxo-1-benzothiophene-2-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-1,1-dioxo-1-benzothiophene-2-carboxamide Traditional Name: N-(4-fluorophenyl)-1,1-diketo-3-(piperonylamino)benzothiophene-2-carboxamide Formula: C23H17FN2O5S MolecularWeight: 452.454883

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(S(=O)(=O)C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(S(=O)(=O)C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C23H17FN2O5S/c24-15-6-8-16(9-7-15)26-23(27)22-21(17-3-1-2-4-20(17)32(22,28)29)25-12-14-5-10-18-19(11-14)31-13-30-18/h1-11,25H,12-13H2,(H,26,27)