N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-(3-pyridylmethylcarbamothioylamino)phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-(3-pyridylmethylthiocarbamoylamino)phenyl]thiadiazole-4-carboxamide Formula: C16H14N6OS2 MolecularWeight: 370.45196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

Isomeric SMILES

C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

InChI

InChI=1S/C16H14N6OS2/c23-15(14-10-25-22-21-14)19-12-3-5-13(6-4-12)20-16(24)18-9-11-2-1-7-17-8-11/h1-8,10H,9H2,(H,19,23)(H2,18,20,24)