N-[(3-oxidanylpyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3-oxidanylpyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3-hydroxy-2-pyridyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3-hydroxy-2-pyridinyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-hydroxypyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3-hydroxy-2-pyridyl)thiocarbamoyl]-piperonylamide Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC=N3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC=N3)O

InChI

InChI=1S/C14H11N3O4S/c18-9-2-1-5-15-12(9)16-14(22)17-13(19)8-3-4-10-11(6-8)21-7-20-10/h1-6,18H,7H2,(H2,15,16,17,19,22)