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

Systemtic Name: methyl 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H14ClF3N2O2S2 MolecularWeight: 422.87277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C

InChI

InChI=1S/C16H14ClF3N2O2S2/c1-7-8(2)26-13(12(7)14(23)24-3)22-15(25)21-9-4-5-11(17)10(6-9)16(18,19)20/h4-6H,1-3H3,(H2,21,22,25)