methyl 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H12ClF3N2O2S2 MolecularWeight: 408.84619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClF3N2O2S2/c1-7-5-9(13(22)23-2)12(25-7)21-14(24)20-8-3-4-11(16)10(6-8)15(17,18)19/h3-6H,1-2H3,(H2,20,21,24)