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

Systemtic Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-phenyl-propanoate Openeye Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-phenyl-propanoate CAS Name: (2R)-2-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-phenylpropanoate Traditional Name: (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]-3-phenyl-propionate Formula: C18H13F6N2O2S- MolecularWeight: 435.363439

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H14F6N2O2S/c19-17(20,21)11-7-12(18(22,23)24)9-13(8-11)25-16(29)26-14(15(27)28)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2,(H,27,28)(H2,25,26,29)/p-1/t14-/m1/s1