N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C14H8Br2N4O6S MolecularWeight: 520.10952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8Br2N4O6S/c15-10-3-7(4-11(16)12(10)21)17-14(27)18-13(22)6-1-8(19(23)24)5-9(2-6)20(25)26/h1-5,21H,(H2,17,18,22,27)