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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-cyclopentyl-isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3-cyclopentyl-isothiourea Formula: C13H16ClFN2S MolecularWeight: 286.795943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=C(N)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CCC(C1)N=C(N)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H16ClFN2S/c14-11-6-3-7-12(15)10(11)8-18-13(16)17-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,16,17)