4-iodanyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-3-ylcarbamothioylamino)ethyl]benzamide

Systemtic Name: 4-iodanyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-3-ylcarbamothioylamino)ethyl]benzamide Openeye Name: 4-iodo-N-[2,2,2-trichloro-1-(3-pyridylcarbamothioylamino)ethyl]benzamide CAS Name: 4-iodo-N-[2,2,2-trichloro-1-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-iodo-N-[2,2,2-trichloro-1-(pyridin-3-ylcarbamothioylamino)ethyl]benzamide Traditional Name: 4-iodo-N-[2,2,2-trichloro-1-(3-pyridylthiocarbamoylamino)ethyl]benzamide Formula: C15H12Cl3IN4OS MolecularWeight: 529.61045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12Cl3IN4OS/c16-15(17,18)13(22-12(24)9-3-5-10(19)6-4-9)23-14(25)21-11-2-1-7-20-8-11/h1-8,13H,(H,22,24)(H2,21,23,25)