(2-chloranyl-6-fluoranyl-phenyl)methyl N'-phenethylcarbamimidothioate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3-phenethyl-isothiourea Formula: C16H16ClFN2S MolecularWeight: 322.828043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN=C(N)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CCN=C(N)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H16ClFN2S/c17-14-7-4-8-15(18)13(14)11-21-16(19)20-10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,19,20)