2,4-bis(chloranyl)-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 2,4-dichloro-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 2,4-dichloro-5-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 2,4-dichloro-5-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid Formula: C17H12Cl2N2O3S MolecularWeight: 395.25978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2N2O3S/c18-12-9-13(19)14(8-11(12)16(23)24)20-17(25)21-15(22)7-6-10-4-2-1-3-5-10/h1-9H,(H,23,24)(H2,20,21,22,25)/b7-6+