N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

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