N-[(5-bromanylpyridin-2-yl)carbamothioyl]-4-butoxy-benzamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-4-butoxy-benzamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-4-butoxy-benzamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-4-butoxybenzamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-4-butoxy-benzamide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O2S/c1-2-3-10-23-14-7-4-12(5-8-14)16(22)21-17(24)20-15-9-6-13(18)11-19-15/h4-9,11H,2-3,10H2,1H3,(H2,19,20,21,22,24)