3,5-bis(iodanyl)-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(iodanyl)-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 3,5-diiodo-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 3,5-diiodo-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-diiodo-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-diiodo-2-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid Formula: C17H12I2N2O3S MolecularWeight: 578.16272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C17H12I2N2O3S/c18-11-8-12(16(23)24)15(13(19)9-11)21-17(25)20-14(22)7-6-10-4-2-1-3-5-10/h1-9H,(H,23,24)(H2,20,21,22,25)/b7-6+