5-bromanyl-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-2-ethoxy-benzamide Formula: C16H13BrClN3O4S MolecularWeight: 458.71412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrClN3O4S/c1-2-25-14-6-3-9(17)7-11(14)15(22)20-16(26)19-12-5-4-10(18)8-13(12)21(23)24/h3-8H,2H2,1H3,(H2,19,20,22,26)