methyl 2-[[2-carbamothioyl-4-(trifluoromethyl)phenyl]-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[2-carbamothioyl-4-(trifluoromethyl)phenyl]-methyl-amino]ethanoate Openeye Name: methyl 2-[2-carbamothioyl-N-methyl-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-carbamothioyl-N-methyl-4-(trifluoromethyl)anilino]acetic acid methyl ester IUPAC Name: methyl 2-[2-carbamothioyl-N-methyl-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[N-methyl-2-thiocarbamoyl-4-(trifluoromethyl)anilino]acetic acid methyl ester Formula: C12H13F3N2O2S MolecularWeight: 306.30403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C1=C(C=C(C=C1)C(F)(F)F)C(=S)N

Isomeric SMILES

CN(CC(=O)OC)C1=C(C=C(C=C1)C(F)(F)F)C(=S)N

InChI

InChI=1S/C12H13F3N2O2S/c1-17(6-10(18)19-2)9-4-3-7(12(13,14)15)5-8(9)11(16)20/h3-5H,6H2,1-2H3,(H2,16,20)