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

Systemtic Name: 5-bromanyl-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C17H15BrClN3O5S MolecularWeight: 488.7401

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrClN3O5S/c1-26-6-7-27-15-5-2-10(18)8-12(15)16(23)21-17(28)20-13-4-3-11(19)9-14(13)22(24)25/h2-5,8-9H,6-7H2,1H3,(H2,20,21,23,28)