N-[6-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]furan-2-carboxamide

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]furan-2-carboxamide Openeye Name: N-[6-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butyl]sulfanylpyridazin-3-yl]furan-2-carboxamide CAS Name: N-[6-[[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]thio]-3-pyridazinyl]-2-furancarboxamide IUPAC Name: N-[6-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]sulfanylpyridazin-3-yl]furan-2-carboxamide Traditional Name: N-[6-[[4-keto-4-(piperonylamino)butyl]thio]pyridazin-3-yl]-2-furamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=NN=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=NN=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H20N4O5S/c26-19(22-12-14-5-6-15-17(11-14)30-13-29-15)4-2-10-31-20-8-7-18(24-25-20)23-21(27)16-3-1-9-28-16/h1,3,5-9,11H,2,4,10,12-13H2,(H,22,26)(H,23,24,27)