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

Systemtic Name: ethyl 2-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-chloro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-chloro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H16ClF3N2O2S2 MolecularWeight: 484.94215

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H16ClF3N2O2S2/c1-2-29-19(28)14-11-17(12-6-4-3-5-7-12)31-18(14)27-20(30)26-16-9-8-13(22)10-15(16)21(23,24)25/h3-11H,2H2,1H3,(H2,26,27,30)