2-(4-bromanyl-2-chloranyl-phenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C16H13BrClN3O5S MolecularWeight: 474.71352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H13BrClN3O5S/c1-25-14-5-3-10(21(23)24)7-12(14)19-16(27)20-15(22)8-26-13-4-2-9(17)6-11(13)18/h2-7H,8H2,1H3,(H2,19,20,22,27)