methyl N'-(1-phenylethyl)-N-[4-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: methyl N'-(1-phenylethyl)-N-[4-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-methyl-3-(1-phenylethyl)-1-[4-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-(1-phenylethyl)-N-[4-(trifluoromethyl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-phenylethyl)-N-[4-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-methyl-3-(1-phenylethyl)-1-[4-(trifluoromethyl)phenyl]isothiourea Formula: C17H17F3N2S MolecularWeight: 338.39049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)C(F)(F)F)SC

Isomeric SMILES

CC(C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)C(F)(F)F)SC

InChI

InChI=1S/C17H17F3N2S/c1-12(13-6-4-3-5-7-13)21-16(23-2)22-15-10-8-14(9-11-15)17(18,19)20/h3-12H,1-2H3,(H,21,22)