N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3-bromo-4-methoxy-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(3-bromo-4-methoxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-bromo-4-methoxy-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H11BrN4O6S MolecularWeight: 455.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN4O6S/c1-26-13-3-2-9(6-12(13)16)17-15(27)18-14(21)8-4-10(19(22)23)7-11(5-8)20(24)25/h2-7H,1H3,(H2,17,18,21,27)