N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2-(3,4-dimethylphenoxy)ethanamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-2-(3,4-dimethylphenoxy)acetamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-2-(3,4-dimethylphenoxy)acetamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-2-(3,4-dimethylphenoxy)acetamide Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=NC=C(C=C2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=NC=C(C=C2)Br)C

InChI

InChI=1S/C16H16BrN3O2S/c1-10-3-5-13(7-11(10)2)22-9-15(21)20-16(23)19-14-6-4-12(17)8-18-14/h3-8H,9H2,1-2H3,(H2,18,19,20,21,23)