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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[2-(trifluoromethyl)phenyl]carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-[2-(trifluoromethyl)phenyl]isothiourea Formula: C18H17F3N2O2S MolecularWeight: 382.39999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N2O2S/c1-11(24)12-7-8-16(25-2)13(9-12)10-26-17(22)23-15-6-4-3-5-14(15)18(19,20)21/h3-9H,10H2,1-2H3,(H2,22,23)