3-butoxy-N-[(5-iodanyl-3-methyl-pyridin-2-yl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(5-iodanyl-3-methyl-pyridin-2-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(5-iodo-3-methyl-2-pyridyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(5-iodo-3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(5-iodo-3-methylpyridin-2-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(5-iodo-3-methyl-2-pyridyl)thiocarbamoyl]benzamide Formula: C18H20IN3O2S MolecularWeight: 469.33977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2C)I

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2C)I

InChI

InChI=1S/C18H20IN3O2S/c1-3-4-8-24-15-7-5-6-13(10-15)17(23)22-18(25)21-16-12(2)9-14(19)11-20-16/h5-7,9-11H,3-4,8H2,1-2H3,(H2,20,21,22,23,25)