2-(ethanoylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-(ethanoylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-(acetylcarbamothioylamino)-3,5-diiodo-benzoic acid CAS Name: 2-[[acetamido(sulfanylidene)methyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-(acetylcarbamothioylamino)-3,5-diiodobenzoic acid Traditional Name: 2-(acetylthiocarbamoylamino)-3,5-diiodo-benzoic acid Formula: C10H8I2N2O3S MolecularWeight: 490.05606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)I)I

Isomeric SMILES

CC(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)I)I

InChI

InChI=1S/C10H8I2N2O3S/c1-4(15)13-10(18)14-8-6(9(16)17)2-5(11)3-7(8)12/h2-3H,1H3,(H,16,17)(H2,13,14,15,18)