N-[6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]benzamide

Systemtic Name: N-[6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]benzamide Openeye Name: N-[6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylpyridazin-3-yl]benzamide CAS Name: N-[6-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-3-pyridazinyl]benzamide IUPAC Name: N-[6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide Traditional Name: N-[6-[[2-keto-2-(piperonylamino)ethyl]thio]pyridazin-3-yl]benzamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O4S/c26-19(22-11-14-6-7-16-17(10-14)29-13-28-16)12-30-20-9-8-18(24-25-20)23-21(27)15-4-2-1-3-5-15/h1-10H,11-13H2,(H,22,26)(H,23,24,27)