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

Systemtic Name: 4-butoxy-N-[(5-iodanyl-3-methyl-pyridin-2-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(5-iodo-3-methyl-2-pyridyl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(5-iodo-3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(5-iodo-3-methylpyridin-2-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(5-iodo-3-methyl-2-pyridyl)thiocarbamoyl]benzamide Formula: C18H20IN3O2S MolecularWeight: 469.33977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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