4-tert-butyl-N-[(5-iodanylpyridin-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(5-iodanylpyridin-2-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(5-iodo-2-pyridyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(5-iodopyridin-2-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(5-iodo-2-pyridyl)thiocarbamoyl]benzamide Formula: C17H18IN3OS MolecularWeight: 439.31379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18IN3OS/c1-17(2,3)12-6-4-11(5-7-12)15(22)21-16(23)20-14-9-8-13(18)10-19-14/h4-10H,1-3H3,(H2,19,20,21,22,23)