2-chloranyl-5-iodanyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 2-chloranyl-5-iodanyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 2-chloro-5-iodo-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 2-chloro-5-iodo-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 2-chloro-5-iodo-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C14H11ClIN3OS MolecularWeight: 431.67911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClIN3OS/c15-12-4-3-10(16)6-11(12)13(20)19-14(21)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H2,18,19,20,21)