(3-fluoranyl-4-methoxy-phenyl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(3-fluoro-4-methoxy-phenyl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-(3-fluoro-4-methoxy-benzyl)isothiourea Formula: C13H19FN2OS MolecularWeight: 270.366163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=CC(=C(C=C1)OC)F

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C13H19FN2OS/c1-13(2,3)16-12(15)18-8-9-5-6-11(17-4)10(14)7-9/h5-7H,8H2,1-4H3,(H2,15,16)