4-[[(1S)-2,2,2-tris(chloranyl)-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamothioylamino]benzoate

Systemtic Name: 4-[[(1S)-2,2,2-tris(chloranyl)-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamothioylamino]benzoate Openeye Name: 4-[[(1S)-2,2,2-trichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[[(1S)-2,2,2-trichloro-1-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl]amino]methyl]amino]benzoate IUPAC Name: 4-[[(1S)-2,2,2-trichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamothioylamino]benzoate Traditional Name: 4-[[(1S)-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=C(C=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=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C19H16Cl3N3O3S/c20-19(21,22)17(24-15(26)11-6-12-4-2-1-3-5-12)25-18(29)23-14-9-7-13(8-10-14)16(27)28/h1-11,17H,(H,24,26)(H,27,28)(H2,23,25,29)/p-1/b11-6+/t17-/m0/s1