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

Systemtic Name: N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(5-bromo-6-methyl-2-pyridyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(5-bromo-6-methyl-2-pyridyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C15H13BrN4O4S MolecularWeight: 425.25712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])Br

InChI

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