N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C23H22N4O4S/c1-14-11-15(2)25-23(24-14)32-13-16-7-9-17(10-8-16)21(28)26-27-22(29)20-12-30-18-5-3-4-6-19(18)31-20/h3-11,20H,12-13H2,1-2H3,(H,26,28)(H,27,29)