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

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Openeye Name: N-[6-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide CAS Name: N-[6-[[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]thio]-3-pyridazinyl]cyclopropanecarboxamide IUPAC Name: N-[6-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Traditional Name: N-[6-[[4-keto-4-(piperonylamino)butyl]thio]pyridazin-3-yl]cyclopropanecarboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NN=C(C=C2)SCCCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1C(=O)NC2=NN=C(C=C2)SCCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O4S/c25-18(21-11-13-3-6-15-16(10-13)28-12-27-15)2-1-9-29-19-8-7-17(23-24-19)22-20(26)14-4-5-14/h3,6-8,10,14H,1-2,4-5,9,11-12H2,(H,21,25)(H,22,23,26)