N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C16H14BrN3O5S MolecularWeight: 440.26846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C16H14BrN3O5S/c1-24-13-6-3-9(7-14(13)25-2)15(21)19-16(26)18-12-5-4-10(20(22)23)8-11(12)17/h3-8H,1-2H3,(H2,18,19,21,26)