N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-quinolin-3-yl-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-quinolin-3-yl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-(3-quinolyl)thiadiazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(3-quinolinyl)-4-thiadiazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-quinolin-3-ylthiadiazole-4-carboxamide Traditional Name: N-[2-keto-2-(piperonylamino)ethyl]-N-(3-quinolyl)thiadiazole-4-carboxamide Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(C3=CC4=CC=CC=C4N=C3)C(=O)C5=CSN=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(C3=CC4=CC=CC=C4N=C3)C(=O)C5=CSN=N5

InChI

InChI=1S/C22H17N5O4S/c28-21(24-9-14-5-6-19-20(7-14)31-13-30-19)11-27(22(29)18-12-32-26-25-18)16-8-15-3-1-2-4-17(15)23-10-16/h1-8,10,12H,9,11,13H2,(H,24,28)