N-(1,3-benzodioxol-5-ylmethyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-piperonyl-thioxanthene-3-carboxamide Formula: C22H15NO6S MolecularWeight: 421.4226

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C22H15NO6S/c24-21-15-3-1-2-4-19(15)30(26,27)20-10-14(6-7-16(20)21)22(25)23-11-13-5-8-17-18(9-13)29-12-28-17/h1-10H,11-12H2,(H,23,25)