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

Systemtic Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H16F6N2O2S2 MolecularWeight: 518.495059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H16F6N2O2S2/c1-11-16(12-6-4-3-5-7-12)17(19(31)32-2)18(34-11)30-20(33)29-15-9-13(21(23,24)25)8-14(10-15)22(26,27)28/h3-10H,1-2H3,(H2,29,30,33)