methyl 2-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-fluoro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-fluoro-5-(trifluoromethyl)phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H12F4N2O2S2 MolecularWeight: 392.391593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)F)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)F)C(=O)OC

InChI

InChI=1S/C15H12F4N2O2S2/c1-7-5-9(13(22)23-2)12(25-7)21-14(24)20-11-6-8(15(17,18)19)3-4-10(11)16/h3-6H,1-2H3,(H2,20,21,24)