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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)-3-phenethyl-isothiourea Formula: C17H19FN2OS MolecularWeight: 318.408963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC(=NCCC2=CC=CC=C2)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC(=NCCC2=CC=CC=C2)N)F

InChI

InChI=1S/C17H19FN2OS/c1-21-16-8-7-14(11-15(16)18)12-22-17(19)20-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,19,20)