3-[[2-azanyl-5-(trifluoromethyl)phenyl]sulfanylcarbamoylamino]-2-fluoranyl-4-phenyl-benzamide

Systemtic Name: 3-[[2-azanyl-5-(trifluoromethyl)phenyl]sulfanylcarbamoylamino]-2-fluoranyl-4-phenyl-benzamide Openeye Name: 3-[[2-amino-5-(trifluoromethyl)phenyl]sulfanylcarbamoylamino]-2-fluoro-4-phenyl-benzamide CAS Name: 3-[[[[[2-amino-5-(trifluoromethyl)phenyl]thio]amino]-oxomethyl]amino]-2-fluoro-4-phenylbenzamide IUPAC Name: 3-[[2-amino-5-(trifluoromethyl)phenyl]sulfanylcarbamoylamino]-2-fluoro-4-phenylbenzamide Traditional Name: 3-[[[2-amino-5-(trifluoromethyl)phenyl]thio]carbamoylamino]-2-fluoro-4-phenyl-benzamide Formula: C21H16F4N4O2S MolecularWeight: 464.435953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)N)F)NC(=O)NSC3=C(C=CC(=C3)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)N)F)NC(=O)NSC3=C(C=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C21H16F4N4O2S/c22-17-14(19(27)30)8-7-13(11-4-2-1-3-5-11)18(17)28-20(31)29-32-16-10-12(21(23,24)25)6-9-15(16)26/h1-10H,26H2,(H2,27,30)(H2,28,29,31)