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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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