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

Systemtic Name: (phenylmethyl) N-(3-chloranyl-4-fluoranyl-phenyl)-N'-methyl-carbamimidothioate Openeye Name: 2-benzyl-1-(3-chloro-4-fluoro-phenyl)-3-methyl-isothiourea CAS Name: N-(3-chloro-4-fluorophenyl)-N'-methylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-(3-chloro-4-fluorophenyl)-N'-methylcarbamimidothioate Traditional Name: 2-benzyl-1-(3-chloro-4-fluoro-phenyl)-3-methyl-isothiourea Formula: C15H14ClFN2S MolecularWeight: 308.801463

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC(=C(C=C1)F)Cl)SCC2=CC=CC=C2

Isomeric SMILES

CN=C(NC1=CC(=C(C=C1)F)Cl)SCC2=CC=CC=C2

InChI

InChI=1S/C15H14ClFN2S/c1-18-15(20-10-11-5-3-2-4-6-11)19-12-7-8-14(17)13(16)9-12/h2-9H,10H2,1H3,(H,18,19)