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

Systemtic Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H12F6N2O2S2 MolecularWeight: 442.399099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F6N2O2S2/c1-7-3-11(13(25)26-2)12(28-7)24-14(27)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h3-6H,1-2H3,(H2,23,24,27)