(3-fluoranyl-4-methoxy-phenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(3-fluoro-4-methoxy-phenyl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-(3-fluoro-4-methoxy-benzyl)isothiourea Formula: C15H13ClF2N2OS MolecularWeight: 342.791326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC(=NC2=CC(=C(C=C2)F)Cl)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC(=NC2=CC(=C(C=C2)F)Cl)N)F

InChI

InChI=1S/C15H13ClF2N2OS/c1-21-14-5-2-9(6-13(14)18)8-22-15(19)20-10-3-4-12(17)11(16)7-10/h2-7H,8H2,1H3,(H2,19,20)