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

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

Systemtic Name:methyl 3-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]carbothioylamino]propanoate
Openeye Name:methyl 3-(p-tolyl)-2-[[2-(trifluoromethyl)benzenecarbothioyl]amino]propanoate
CAS Name:3-(4-methylphenyl)-2-[[sulfanylidene-[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid methyl ester
IUPAC Name:methyl 3-(4-methylphenyl)-2-[[2-(trifluoromethyl)benzenecarbothioyl]amino]propanoate
Traditional Name:3-(p-tolyl)-2-[[2-(trifluoromethyl)thiobenzoyl]amino]propionic acid methyl ester
Formula: C19H18F3NO2S
MolecularWeight: 381.41193
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H18F3NO2S/c1-12-7-9-13(10-8-12)11-16(18(24)25-2)23-17(26)14-5-3-4-6-15(14)19(20,21)22/h3-10,16H,11H2,1-2H3,(H,23,26)


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