3,5-bis(bromanyl)-2-[(4-bromophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[(4-bromophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(4-bromobenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(4-bromobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(4-bromobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9Br3N2O3S MolecularWeight: 537.02056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Br

InChI

InChI=1S/C15H9Br3N2O3S/c16-8-3-1-7(2-4-8)13(21)20-15(24)19-12-10(14(22)23)5-9(17)6-11(12)18/h1-6H,(H,22,23)(H2,19,20,21,24)