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

Systemtic Name: (4-fluorophenyl)methyl N-(3-chloranyl-4-fluoranyl-phenyl)-N'-phenyl-carbamimidothioate Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-2-[(4-fluorophenyl)methyl]-3-phenyl-isothiourea CAS Name: N-(3-chloro-4-fluorophenyl)-N'-phenylcarbamimidothioic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl N-(3-chloro-4-fluorophenyl)-N'-phenylcarbamimidothioate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-2-(4-fluorobenzyl)-3-phenyl-isothiourea Formula: C20H15ClF2N2S MolecularWeight: 388.861306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(NC2=CC(=C(C=C2)F)Cl)SCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)N=C(NC2=CC(=C(C=C2)F)Cl)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H15ClF2N2S/c21-18-12-17(10-11-19(18)23)25-20(24-16-4-2-1-3-5-16)26-13-14-6-8-15(22)9-7-14/h1-12H,13H2,(H,24,25)