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

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[4-[2-keto-2-(piperonylamino)ethyl]thiazol-2-yl]-4-nitro-benzamide Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O6S/c25-18(21-9-12-1-6-16-17(7-12)30-11-29-16)8-14-10-31-20(22-14)23-19(26)13-2-4-15(5-3-13)24(27)28/h1-7,10H,8-9,11H2,(H,21,25)(H,22,23,26)