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

Systemtic Name: 5-iodanyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 5-iodo-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 5-iodo-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-iodo-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 5-iodo-2-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid Formula: C17H13IN2O3S MolecularWeight: 452.26619

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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=C2)I)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H13IN2O3S/c18-12-7-8-14(13(10-12)16(22)23)19-17(24)20-15(21)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,19,20,21,24)/b9-6+