(3-fluorophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate

Systemtic Name: (3-fluorophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 3-(4-ethoxyphenyl)-2-[(3-fluorophenyl)methyl]isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-(3-fluorobenzyl)-3-p-phenetyl-isothiourea Formula: C16H17FN2OS MolecularWeight: 304.382383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC(=CC=C2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC(=CC=C2)F

InChI

InChI=1S/C16H17FN2OS/c1-2-20-15-8-6-14(7-9-15)19-16(18)21-11-12-4-3-5-13(17)10-12/h3-10H,2,11H2,1H3,(H2,18,19)