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

Systemtic Name: N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(5-bromo-6-methyl-2-pyridyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(5-bromo-6-methyl-2-pyridyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C15H13BrN4O3S MolecularWeight: 409.25772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C

InChI

InChI=1S/C15H13BrN4O3S/c1-8-10(4-3-5-12(8)20(22)23)14(21)19-15(24)18-13-7-6-11(16)9(2)17-13/h3-7H,1-2H3,(H2,17,18,19,21,24)