N-[(2-phenylethanoylamino)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(2-phenylethanoylamino)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[(2-phenylacetyl)amino]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[(2-phenylacetyl)amino]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[(2-phenylacetyl)amino]thiocarbamoyl]nicotinamide Formula: C15H14N4O2S MolecularWeight: 314.36226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O2S/c20-13(9-11-5-2-1-3-6-11)18-19-15(22)17-14(21)12-7-4-8-16-10-12/h1-8,10H,9H2,(H,18,20)(H2,17,19,21,22)