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

Systemtic Name: (3-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 1-cyano-3-(4-ethoxyphenyl)-2-[(3-fluorophenyl)methyl]isothiourea CAS Name: N-cyano-N'-(4-ethoxyphenyl)carbamimidothioic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 1-cyano-2-(3-fluorobenzyl)-3-p-phenetyl-isothiourea Formula: C17H16FN3OS MolecularWeight: 329.391843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3OS/c1-2-22-16-8-6-15(7-9-16)21-17(20-12-19)23-11-13-4-3-5-14(18)10-13/h3-10H,2,11H2,1H3,(H,20,21)