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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzamide Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H20N4O4S/c1-13-9-14(2)24-22(23-13)31-11-20(27)26-17-6-4-3-5-16(17)21(28)25-15-7-8-18-19(10-15)30-12-29-18/h3-10H,11-12H2,1-2H3,(H,25,28)(H,26,27)