N-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(piperonyloylamino)thiocarbamoyl]nicotinamide Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O4S/c20-13(10-2-1-5-16-7-10)17-15(24)19-18-14(21)9-3-4-11-12(6-9)23-8-22-11/h1-7H,8H2,(H,18,21)(H2,17,19,20,24)