methyl N'-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: methyl N'-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 3-(4-methoxyphenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 3-(4-methoxyphenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]isothiourea Formula: C16H15F3N2OS MolecularWeight: 340.36331

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(NC2=CC=CC(=C2)C(F)(F)F)SC

Isomeric SMILES

COC1=CC=C(C=C1)N=C(NC2=CC=CC(=C2)C(F)(F)F)SC

InChI

InChI=1S/C16H15F3N2OS/c1-22-14-8-6-12(7-9-14)20-15(23-2)21-13-5-3-4-11(10-13)16(17,18)19/h3-10H,1-2H3,(H,20,21)