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

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C15H11Br2N3O4S MolecularWeight: 489.13854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H11Br2N3O4S/c1-7-4-8(2-3-12(7)20(23)24)14(22)19-15(25)18-9-5-10(16)13(21)11(17)6-9/h2-6,21H,1H3,(H2,18,19,22,25)