N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H11BrN4O5S MolecularWeight: 439.24064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN4O5S/c1-8-2-3-13(12(16)4-8)17-15(26)18-14(21)9-5-10(19(22)23)7-11(6-9)20(24)25/h2-7H,1H3,(H2,17,18,21,26)