(phenylmethyl) N,N'-bis(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N,N'-bis(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 2-benzyl-1,3-bis(3-chloro-4-fluoro-phenyl)isothiourea CAS Name: N,N'-bis(3-chloro-4-fluorophenyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N'-bis(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 2-benzyl-1,3-bis(3-chloro-4-fluoro-phenyl)isothiourea Formula: C20H14Cl2F2N2S MolecularWeight: 423.306366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NC2=CC(=C(C=C2)F)Cl)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC(=NC2=CC(=C(C=C2)F)Cl)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H14Cl2F2N2S/c21-16-10-14(6-8-18(16)23)25-20(27-12-13-4-2-1-3-5-13)26-15-7-9-19(24)17(22)11-15/h1-11H,12H2,(H,25,26)