4-[2,3-bis(iodanyl)propylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 4-[2,3-bis(iodanyl)propylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 4-(2,3-diiodopropylcarbamothioylamino)-3,5-diiodo-benzoic acid CAS Name: 4-[[(2,3-diiodopropylamino)-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 4-(2,3-diiodopropylcarbamothioylamino)-3,5-diiodobenzoic acid Traditional Name: 4-(2,3-diiodopropylthiocarbamoylamino)-3,5-diiodo-benzoic acid Formula: C11H10I4N2O2S MolecularWeight: 741.89218

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)NC(=S)NCC(CI)I)I)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1I)NC(=S)NCC(CI)I)I)C(=O)O

InChI

InChI=1S/C11H10I4N2O2S/c12-3-6(13)4-16-11(20)17-9-7(14)1-5(10(18)19)2-8(9)15/h1-2,6H,3-4H2,(H,18,19)(H2,16,17,20)