N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(E)-piperonylideneamino]acetamide Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H16N4O3S/c1-10-5-11(2)19-16(18-10)24-8-15(21)20-17-7-12-3-4-13-14(6-12)23-9-22-13/h3-7H,8-9H2,1-2H3,(H,20,21)/b17-7+