2-[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[[2-(2-chlorophenoxy)acetyl]thiocarbamoylamino]-5-iodo-benzoic acid Formula: C16H12ClIN2O4S MolecularWeight: 490.69995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Cl

InChI

InChI=1S/C16H12ClIN2O4S/c17-11-3-1-2-4-13(11)24-8-14(21)20-16(25)19-12-6-5-9(18)7-10(12)15(22)23/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)