(5-ethanoyl-2-ethoxy-phenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[2-(trifluoromethyl)phenyl]carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-[2-(trifluoromethyl)phenyl]isothiourea Formula: C19H19F3N2O2S MolecularWeight: 396.42657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC=CC=C2C(F)(F)F)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC=CC=C2C(F)(F)F)N

InChI

InChI=1S/C19H19F3N2O2S/c1-3-26-17-9-8-13(12(2)25)10-14(17)11-27-18(23)24-16-7-5-4-6-15(16)19(20,21)22/h4-10H,3,11H2,1-2H3,(H2,23,24)