ethyl 4-methyl-2-[[4-(trifluoromethyl)phenyl]carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(trifluoromethyl)phenyl]carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(trifluoromethyl)benzoyl]carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(trifluoromethyl)benzoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[4-(trifluoromethyl)benzoyl]thiocarbamoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C16H14F3N3O3S2 MolecularWeight: 417.42587

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C16H14F3N3O3S2/c1-3-25-13(24)11-8(2)20-15(27-11)22-14(26)21-12(23)9-4-6-10(7-5-9)16(17,18)19/h4-7H,3H2,1-2H3,(H2,20,21,22,23,26)