(3-fluoranyl-4-methoxy-phenyl)methyl N'-prop-2-enylcarbamimidothioate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(3-fluoro-4-methoxy-phenyl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-(3-fluoro-4-methoxy-benzyl)isothiourea Formula: C12H15FN2OS MolecularWeight: 254.323703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC(=NCC=C)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC(=NCC=C)N)F

InChI

InChI=1S/C12H15FN2OS/c1-3-6-15-12(14)17-8-9-4-5-11(16-2)10(13)7-9/h3-5,7H,1,6,8H2,2H3,(H2,14,15)