4-(carboxymethylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 4-(carboxymethylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 4-(carboxymethylcarbamothioylamino)-3,5-diiodo-benzoic acid CAS Name: 4-[[(carboxymethylamino)-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 4-(carboxymethylcarbamothioylamino)-3,5-diiodobenzoic acid Traditional Name: 4-(carboxymethylthiocarbamoylamino)-3,5-diiodo-benzoic acid Formula: C10H8I2N2O4S MolecularWeight: 506.05546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8I2N2O4S/c11-5-1-4(9(17)18)2-6(12)8(5)14-10(19)13-3-7(15)16/h1-2H,3H2,(H,15,16)(H,17,18)(H2,13,14,19)