methyl N-phenyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidothioate

Systemtic Name: methyl N-phenyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidothioate Openeye Name: 2-methyl-1-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]isothiourea CAS Name: N-phenyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-phenyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidothioate Traditional Name: 2-methyl-1-phenyl-3-[3-(trifluoromethyl)benzyl]isothiourea Formula: C16H15F3N2S MolecularWeight: 324.36391

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC(=CC=C1)C(F)(F)F)NC2=CC=CC=C2

Isomeric SMILES

CSC(=NCC1=CC(=CC=C1)C(F)(F)F)NC2=CC=CC=C2

InChI

InChI=1S/C16H15F3N2S/c1-22-15(21-14-8-3-2-4-9-14)20-11-12-6-5-7-13(10-12)16(17,18)19/h2-10H,11H2,1H3,(H,20,21)