3-[[(1R)-2,2,2-tris(chloranyl)-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamothioylamino]benzoate

Systemtic Name: 3-[[(1R)-2,2,2-tris(chloranyl)-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamothioylamino]benzoate Openeye Name: 3-[[(1R)-2,2,2-trichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamothioylamino]benzoate CAS Name: 3-[[sulfanylidene-[[(1R)-2,2,2-trichloro-1-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl]amino]methyl]amino]benzoate IUPAC Name: 3-[[(1R)-2,2,2-trichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamothioylamino]benzoate Traditional Name: 3-[[(1R)-2,2,2-trichloro-1-[[(E)-3-phenylacryloyl]amino]ethyl]thiocarbamoylamino]benzoate Formula: C19H15Cl3N3O3S- MolecularWeight: 471.7647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)N[C@@H](C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C19H16Cl3N3O3S/c20-19(21,22)17(24-15(26)10-9-12-5-2-1-3-6-12)25-18(29)23-14-8-4-7-13(11-14)16(27)28/h1-11,17H,(H,24,26)(H,27,28)(H2,23,25,29)/p-1/b10-9+/t17-/m1/s1