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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C15H11BrN4O5S MolecularWeight: 439.24064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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