N-[(4-bromanyl-3-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: N-[(4-bromo-3-nitro-phenyl)carbamothioyl]acetamide CAS Name: N-[(4-bromo-3-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: N-[(4-bromo-3-nitrophenyl)carbamothioyl]acetamide Traditional Name: N-[(4-bromo-3-nitro-phenyl)thiocarbamoyl]acetamide Formula: C9H8BrN3O3S MolecularWeight: 318.14712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=S)NC1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C9H8BrN3O3S/c1-5(14)11-9(17)12-6-2-3-7(10)8(4-6)13(15)16/h2-4H,1H3,(H2,11,12,14,17)