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

Systemtic Name: 4-ethoxy-N-[(5-iodanyl-3-methyl-pyridin-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(5-iodo-3-methyl-2-pyridyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[(5-iodo-3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(5-iodo-3-methylpyridin-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(5-iodo-3-methyl-2-pyridyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H15IN4O4S MolecularWeight: 486.28417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2C)I)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2C)I)[N+](=O)[O-]

InChI

InChI=1S/C16H15IN4O4S/c1-3-25-13-5-4-10(7-12(13)21(23)24)15(22)20-16(26)19-14-9(2)6-11(17)8-18-14/h4-8H,3H2,1-2H3,(H2,18,19,20,22,26)