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

Systemtic Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H14F6N2O2S2 MolecularWeight: 504.468479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14F6N2O2S2/c1-31-18(30)15-10-16(11-5-3-2-4-6-11)33-17(15)29-19(32)28-14-8-12(20(22,23)24)7-13(9-14)21(25,26)27/h2-10H,1H3,(H2,28,29,32)