N-[(5-iodanyl-3-methyl-pyridin-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(5-iodanyl-3-methyl-pyridin-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(5-iodo-3-methyl-2-pyridyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(5-iodo-3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(5-iodo-3-methylpyridin-2-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(5-iodo-3-methyl-2-pyridyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C15H13IN4O4S MolecularWeight: 472.25759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])I

Isomeric SMILES

CC1=CC(=CN=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])I

InChI

InChI=1S/C15H13IN4O4S/c1-8-5-10(16)7-17-13(8)18-15(25)19-14(21)9-3-4-12(24-2)11(6-9)20(22)23/h3-7H,1-2H3,(H2,17,18,19,21,25)