N-[(pyridin-3-ylcarbonylamino)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(pyridin-3-ylcarbonylamino)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(pyridine-3-carbonylamino)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[oxo(3-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(pyridine-3-carbonylamino)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-(nicotinamidothiocarbamoyl)nicotinamide Formula: C13H11N5O2S MolecularWeight: 301.32374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC(=S)NNC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC(=S)NNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C13H11N5O2S/c19-11(9-3-1-5-14-7-9)16-13(21)18-17-12(20)10-4-2-6-15-8-10/h1-8H,(H,17,20)(H2,16,18,19,21)