methyl 3-phenyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamothioylamino]propanoate

Systemtic Name: methyl 3-phenyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamothioylamino]propanoate Openeye Name: methyl 3-phenyl-2-[[4-(trifluoromethyl)thiazol-2-yl]carbamothioylamino]propanoate CAS Name: 3-phenyl-2-[[sulfanylidene-[[4-(trifluoromethyl)-2-thiazolyl]amino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamothioylamino]propanoate Traditional Name: 3-phenyl-2-[[4-(trifluoromethyl)thiazol-2-yl]thiocarbamoylamino]propionic acid methyl ester Formula: C15H14F3N3O2S2 MolecularWeight: 389.41577

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC(=CS2)C(F)(F)F

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC(=CS2)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O2S2/c1-23-12(22)10(7-9-5-3-2-4-6-9)19-13(24)21-14-20-11(8-25-14)15(16,17)18/h2-6,8,10H,7H2,1H3,(H2,19,20,21,24)