2-(4-chloranylbutanoylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-(4-chloranylbutanoylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-(4-chlorobutanoylcarbamothioylamino)-3,5-diiodo-benzoic acid CAS Name: 2-[[[(4-chloro-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-(4-chlorobutanoylcarbamothioylamino)-3,5-diiodobenzoic acid Traditional Name: 2-(4-chlorobutanoylthiocarbamoylamino)-3,5-diiodo-benzoic acid Formula: C12H11ClI2N2O3S MolecularWeight: 552.55428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClI2N2O3S/c13-3-1-2-9(18)16-12(21)17-10-7(11(19)20)4-6(14)5-8(10)15/h4-5H,1-3H2,(H,19,20)(H2,16,17,18,21)