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

Systemtic Name: 3,5-bis(bromanyl)-2-[(4-iodophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(4-iodobenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(4-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(4-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(4-iodobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9Br2IN2O3S MolecularWeight: 584.02103

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C15H9Br2IN2O3S/c16-8-5-10(14(22)23)12(11(17)6-8)19-15(24)20-13(21)7-1-3-9(18)4-2-7/h1-6H,(H,22,23)(H2,19,20,21,24)