methyl N-(2,2-dimethoxyethyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioate

Systemtic Name: methyl N-(2,2-dimethoxyethyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioate Openeye Name: 1-(2,2-dimethoxyethyl)-3-[(4-fluorophenyl)methyl]-2-methyl-isothiourea CAS Name: N-(2,2-dimethoxyethyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(2,2-dimethoxyethyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioate Traditional Name: 1-(2,2-dimethoxyethyl)-3-(4-fluorobenzyl)-2-methyl-isothiourea Formula: C13H19FN2O2S MolecularWeight: 286.365563

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=NCC1=CC=C(C=C1)F)SC)OC

Isomeric SMILES

COC(CNC(=NCC1=CC=C(C=C1)F)SC)OC

InChI

InChI=1S/C13H19FN2O2S/c1-17-12(18-2)9-16-13(19-3)15-8-10-4-6-11(14)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,15,16)