N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(5-bromo-6-methyl-2-pyridyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(5-bromo-6-methyl-2-pyridyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C16H15BrN4O4S MolecularWeight: 439.2837

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O4S/c1-3-25-13-6-4-10(8-12(13)21(23)24)15(22)20-16(26)19-14-7-5-11(17)9(2)18-14/h4-8H,3H2,1-2H3,(H2,18,19,20,22,26)