2-bromanyl-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C14H10BrN3O4S MolecularWeight: 396.2159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrN3O4S/c15-10-4-2-1-3-9(10)13(20)17-14(23)16-11-6-5-8(18(21)22)7-12(11)19/h1-7,19H,(H2,16,17,20,23)