methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H14F6N2O2S2 MolecularWeight: 456.425679

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H14F6N2O2S2/c1-3-11-7-12(14(26)27-2)13(29-11)25-15(28)24-10-5-8(16(18,19)20)4-9(6-10)17(21,22)23/h4-7H,3H2,1-2H3,(H2,24,25,28)