N-(pyridin-3-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(pyridin-3-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-pyridylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(pyridin-3-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-pyridylmethylthiocarbamoyl)-piperonylamide Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C15H13N3O3S/c19-14(11-3-4-12-13(6-11)21-9-20-12)18-15(22)17-8-10-2-1-5-16-7-10/h1-7H,8-9H2,(H2,17,18,19,22)