N-[(5-iodanylpyridin-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(5-iodanylpyridin-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(5-iodo-2-pyridyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(5-iodopyridin-2-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(5-iodo-2-pyridyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C14H11IN4O4S MolecularWeight: 458.23101

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C14H11IN4O4S/c1-23-11-4-2-8(6-10(11)19(21)22)13(20)18-14(24)17-12-5-3-9(15)7-16-12/h2-7H,1H3,(H2,16,17,18,20,24)