(4-methylsulfanylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[(4-methylsulfanylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[2-(trifluoromethyl)phenyl]carbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-[4-(methylthio)benzyl]-3-[2-(trifluoromethyl)phenyl]isothiourea Formula: C16H15F3N2S2 MolecularWeight: 356.42891

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CSC(=NC2=CC=CC=C2C(F)(F)F)N

Isomeric SMILES

CSC1=CC=C(C=C1)CSC(=NC2=CC=CC=C2C(F)(F)F)N

InChI

InChI=1S/C16H15F3N2S2/c1-22-12-8-6-11(7-9-12)10-23-15(20)21-14-5-3-2-4-13(14)16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)