3,5-bis(bromanyl)-2-(phenylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-(phenylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 2-(benzoylcarbamothioylamino)-3,5-dibromo-benzoic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-3,5-dibromobenzoic acid IUPAC Name: 2-(benzoylcarbamothioylamino)-3,5-dibromobenzoic acid Traditional Name: 2-(benzoylthiocarbamoylamino)-3,5-dibromo-benzoic acid Formula: C15H10Br2N2O3S MolecularWeight: 458.1245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

InChI

InChI=1S/C15H10Br2N2O3S/c16-9-6-10(14(21)22)12(11(17)7-9)18-15(23)19-13(20)8-4-2-1-3-5-8/h1-7H,(H,21,22)(H2,18,19,20,23)