methyl 4-[(2-bromanyl-4-nitro-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-bromanyl-4-nitro-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(2-bromo-4-nitro-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-bromo-4-nitrophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(2-bromo-4-nitro-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H12BrN3O5S MolecularWeight: 438.25258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O5S/c1-25-15(22)10-4-2-9(3-5-10)14(21)19-16(26)18-13-7-6-11(20(23)24)8-12(13)17/h2-8H,1H3,(H2,18,19,21,26)