3-iodanyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 3-iodanyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3-iodo-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3-iodo-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3-iodo-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C14H12IN3OS MolecularWeight: 397.23405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(=O)NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CC(=C1)I)C(=O)NC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C14H12IN3OS/c15-12-5-1-4-11(7-12)13(19)18-14(20)17-9-10-3-2-6-16-8-10/h1-8H,9H2,(H2,17,18,19,20)