3-butoxy-N-[(5-iodanylpyridin-2-yl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(5-iodanylpyridin-2-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(5-iodo-2-pyridyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(5-iodopyridin-2-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(5-iodo-2-pyridyl)thiocarbamoyl]benzamide Formula: C17H18IN3O2S MolecularWeight: 455.31319

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I

InChI

InChI=1S/C17H18IN3O2S/c1-2-3-9-23-14-6-4-5-12(10-14)16(22)21-17(24)20-15-8-7-13(18)11-19-15/h4-8,10-11H,2-3,9H2,1H3,(H2,19,20,21,22,24)