N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(4-nitrophenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-(4-nitrophenyl)imidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CN3C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CN3C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5S/c24-18(21-10-13-1-6-16-17(9-13)28-12-27-16)11-29-19-20-7-8-22(19)14-2-4-15(5-3-14)23(25)26/h1-9H,10-12H2,(H,21,24)