N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(3-fluorophenyl)-5-oxidanylidene-thiolane-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(3-fluorophenyl)-5-oxidanylidene-thiolane-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-(3-fluorophenyl)-5-oxo-tetrahydrothiophene-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-5-oxo-3-thiolanecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-5-oxothiolane-3-carboxamide Traditional Name: N-(3-fluorophenyl)-5-keto-N-[2-keto-2-(piperonylamino)ethyl]tetrahydrothiophene-3-carboxamide Formula: C21H19FN2O5S MolecularWeight: 430.449363

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC1=O)C(=O)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)F

Isomeric SMILES

C1C(CSC1=O)C(=O)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H19FN2O5S/c22-15-2-1-3-16(8-15)24(21(27)14-7-20(26)30-11-14)10-19(25)23-9-13-4-5-17-18(6-13)29-12-28-17/h1-6,8,14H,7,9-12H2,(H,23,25)