N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]thiazol-2-yl]-3,5-dimethoxy-benzamide CAS Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-thiazolyl]-3,5-dimethoxybenzamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[4-[2-keto-2-(piperonylamino)ethyl]thiazol-2-yl]-3,5-dimethoxy-benzamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)CC(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)CC(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H21N3O6S/c1-28-16-6-14(7-17(9-16)29-2)21(27)25-22-24-15(11-32-22)8-20(26)23-10-13-3-4-18-19(5-13)31-12-30-18/h3-7,9,11H,8,10,12H2,1-2H3,(H,23,26)(H,24,25,27)