N-(4-chloranyl-3-fluoranyl-phenyl)-4-ethyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-3-fluoranyl-phenyl)-4-ethyl-piperazine-1-carbothioamide Openeye Name: N-(4-chloro-3-fluoro-phenyl)-4-ethyl-piperazine-1-carbothioamide CAS Name: N-(4-chloro-3-fluorophenyl)-4-ethyl-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-3-fluorophenyl)-4-ethylpiperazine-1-carbothioamide Traditional Name: N-(4-chloro-3-fluoro-phenyl)-4-ethyl-piperazine-1-carbothioamide Formula: C13H17ClFN3S MolecularWeight: 301.810583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CCN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C13H17ClFN3S/c1-2-17-5-7-18(8-6-17)13(19)16-10-3-4-11(14)12(15)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19)