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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-piperonylideneamino]benzamide Formula: C22H20N4O3S MolecularWeight: 420.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C/C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H20N4O3S/c1-14-9-15(2)25-22(24-14)30-12-16-3-6-18(7-4-16)21(27)26-23-11-17-5-8-19-20(10-17)29-13-28-19/h3-11H,12-13H2,1-2H3,(H,26,27)/b23-11+