2-(4-tert-butylphenoxy)-N-[(5-iodanylpyridin-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[(5-iodanylpyridin-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[(5-iodo-2-pyridyl)carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[(5-iodopyridin-2-yl)carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[(5-iodo-2-pyridyl)thiocarbamoyl]acetamide Formula: C18H20IN3O2S MolecularWeight: 469.33977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20IN3O2S/c1-18(2,3)12-4-7-14(8-5-12)24-11-16(23)22-17(25)21-15-9-6-13(19)10-20-15/h4-10H,11H2,1-3H3,(H2,20,21,22,23,25)