N-[(5-bromanylpyridin-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C15H13BrN4O4S MolecularWeight: 425.25712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H13BrN4O4S/c1-2-24-12-5-3-9(7-11(12)20(22)23)14(21)19-15(25)18-13-6-4-10(16)8-17-13/h3-8H,2H2,1H3,(H2,17,18,19,21,25)