4-methoxy-N-phenyl-3-[[2,3,5,6-tetrakis(fluoranyl)phenyl]carbamothioylamino]benzamide

Systemtic Name: 4-methoxy-N-phenyl-3-[[2,3,5,6-tetrakis(fluoranyl)phenyl]carbamothioylamino]benzamide Openeye Name: 4-methoxy-N-phenyl-3-[(2,3,5,6-tetrafluorophenyl)carbamothioylamino]benzamide CAS Name: 4-methoxy-N-phenyl-3-[[sulfanylidene-(2,3,5,6-tetrafluoroanilino)methyl]amino]benzamide IUPAC Name: 4-methoxy-N-phenyl-3-[(2,3,5,6-tetrafluorophenyl)carbamothioylamino]benzamide Traditional Name: 4-methoxy-N-phenyl-3-[(2,3,5,6-tetrafluorophenyl)thiocarbamoylamino]benzamide Formula: C21H15F4N3O2S MolecularWeight: 449.421313

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=S)NC3=C(C(=CC(=C3F)F)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=S)NC3=C(C(=CC(=C3F)F)F)F

InChI

InChI=1S/C21H15F4N3O2S/c1-30-16-8-7-11(20(29)26-12-5-3-2-4-6-12)9-15(16)27-21(31)28-19-17(24)13(22)10-14(23)18(19)25/h2-10H,1H3,(H,26,29)(H2,27,28,31)