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

Systemtic Name: N-[(3-oxidanylpyridin-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(3-hydroxy-2-pyridyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[(3-hydroxy-2-pyridinyl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(3-hydroxypyridin-2-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(3-hydroxy-2-pyridyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(C=CC=N3)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(C=CC=N3)O

InChI

InChI=1S/C15H13N3O4S/c19-10-2-1-5-16-13(10)17-15(23)18-14(20)9-3-4-11-12(8-9)22-7-6-21-11/h1-5,8,19H,6-7H2,(H2,16,17,18,20,23)