methyl 3-(4-aminophenyl)-2-[[2-(trifluoromethyl)phenyl]carbothioylamino]propanoate

Systemtic Name: methyl 3-(4-aminophenyl)-2-[[2-(trifluoromethyl)phenyl]carbothioylamino]propanoate Openeye Name: methyl 3-(4-aminophenyl)-2-[[2-(trifluoromethyl)benzenecarbothioyl]amino]propanoate CAS Name: 3-(4-aminophenyl)-2-[[sulfanylidene-[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-aminophenyl)-2-[[2-(trifluoromethyl)benzenecarbothioyl]amino]propanoate Traditional Name: 3-(4-aminophenyl)-2-[[2-(trifluoromethyl)thiobenzoyl]amino]propionic acid methyl ester Formula: C18H17F3N2O2S MolecularWeight: 382.39999

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)N)NC(=S)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)N)NC(=S)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H17F3N2O2S/c1-25-17(24)15(10-11-6-8-12(22)9-7-11)23-16(26)13-4-2-3-5-14(13)18(19,20)21/h2-9,15H,10,22H2,1H3,(H,23,26)