2-(4-chloranylbutanoylcarbamothioylamino)-5-iodanyl-benzoic acid

Systemtic Name: 2-(4-chloranylbutanoylcarbamothioylamino)-5-iodanyl-benzoic acid Openeye Name: 2-(4-chlorobutanoylcarbamothioylamino)-5-iodo-benzoic acid CAS Name: 2-[[[(4-chloro-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-(4-chlorobutanoylcarbamothioylamino)-5-iodobenzoic acid Traditional Name: 2-(4-chlorobutanoylthiocarbamoylamino)-5-iodo-benzoic acid Formula: C12H12ClIN2O3S MolecularWeight: 426.65775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClIN2O3S/c13-5-1-2-10(17)16-12(20)15-9-4-3-7(14)6-8(9)11(18)19/h3-4,6H,1-2,5H2,(H,18,19)(H2,15,16,17,20)