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

Systemtic Name: 5-bromanyl-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[(2-chloro-4-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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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