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

Systemtic Name: N-[(5-iodanylpyridin-2-yl)carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(5-iodo-2-pyridyl)carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(5-iodo-2-pyridyl)thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C14H11IN4O3S MolecularWeight: 442.23161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C14H11IN4O3S/c1-8-6-9(2-4-11(8)19(21)22)13(20)18-14(23)17-12-5-3-10(15)7-16-12/h2-7H,1H3,(H2,16,17,18,20,23)