4-[(pyridin-4-ylcarbonylamino)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(pyridin-4-ylcarbonylamino)carbamothioylamino]benzoic acid Openeye Name: 4-[(pyridine-4-carbonylamino)carbamothioylamino]benzoic acid CAS Name: 4-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(pyridine-4-carbonylamino)carbamothioylamino]benzoic acid Traditional Name: 4-(isonicotinamidothiocarbamoylamino)benzoic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C14H12N4O3S/c19-12(9-5-7-15-8-6-9)17-18-14(22)16-11-3-1-10(2-4-11)13(20)21/h1-8H,(H,17,19)(H,20,21)(H2,16,18,22)