N-(3-chloranyl-4-fluoranyl-phenyl)-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzamide Formula: C23H17ClFN3O2S MolecularWeight: 453.916383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C23H17ClFN3O2S/c24-19-14-18(10-11-20(19)25)26-22(30)16-7-4-8-17(13-16)27-23(31)28-21(29)12-9-15-5-2-1-3-6-15/h1-14H,(H,26,30)(H2,27,28,29,31)/b12-9+