N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-1,3-thiazol-2-yl]-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-1,3-thiazol-2-yl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2-thiazolyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[4-[3-keto-3-(piperonylamino)propyl]thiazol-2-yl]-1H-pyridine-3-carboxamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CSC(=N3)NC(=O)C4=CC=CNC4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CSC(=N3)NC(=O)C4=CC=CNC4=O

InChI

InChI=1S/C20H18N4O5S/c25-17(22-9-12-3-5-15-16(8-12)29-11-28-15)6-4-13-10-30-20(23-13)24-19(27)14-2-1-7-21-18(14)26/h1-3,5,7-8,10H,4,6,9,11H2,(H,21,26)(H,22,25)(H,23,24,27)