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

Systemtic Name: (phenylmethyl) N-(3-chloranyl-4-fluoranyl-phenyl)-N'-phenyl-carbamimidothioate hydrobromide Openeye Name: 2-benzyl-1-(3-chloro-4-fluoro-phenyl)-3-phenyl-isothiourea hydrobromide CAS Name: N-(3-chloro-4-fluorophenyl)-N'-phenylcarbamimidothioic acid (phenylmethyl) ester hydrobromide IUPAC Name: benzyl N-(3-chloro-4-fluorophenyl)-N'-phenylcarbamimidothioate hydrobromide Traditional Name: 2-benzyl-1-(3-chloro-4-fluoro-phenyl)-3-phenyl-isothiourea hydrobromide Formula: C20H17BrClFN2S MolecularWeight: 451.782783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClFN2S.BrH/c21-18-13-17(11-12-19(18)22)24-20(23-16-9-5-2-6-10-16)25-14-15-7-3-1-4-8-15;/h1-13H,14H2,(H,23,24);1H