N-[(5-iodanylpyridin-2-yl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[(5-iodanylpyridin-2-yl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(5-iodo-2-pyridyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(5-iodopyridin-2-yl)carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(5-iodo-2-pyridyl)thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C14H11IN4O4S MolecularWeight: 458.23101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC(=S)NC2=NC=C(C=C2)I

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC(=S)NC2=NC=C(C=C2)I

InChI

InChI=1S/C14H11IN4O4S/c15-9-1-6-12(16-7-9)17-14(24)18-13(20)8-23-11-4-2-10(3-5-11)19(21)22/h1-7H,8H2,(H2,16,17,18,20,24)