(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-2-phenyl-ethanoate Openeye Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-2-phenyl-acetate CAS Name: (2R)-2-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-2-phenylacetate IUPAC Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-2-phenylacetate Traditional Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]-2-phenyl-acetate Formula: C17H11F6N2O2S- MolecularWeight: 421.336859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F6N2O2S/c18-16(19,20)10-6-11(17(21,22)23)8-12(7-10)24-15(28)25-13(14(26)27)9-4-2-1-3-5-9/h1-8,13H,(H,26,27)(H2,24,25,28)/p-1/t13-/m1/s1