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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-pentyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-pentyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-pentyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-pentylpiperazine-1-carbothioamide Traditional Name: 4-amyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide Formula: C16H23ClFN3S MolecularWeight: 343.890323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCCN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H23ClFN3S/c1-2-3-4-7-20-8-10-21(11-9-20)16(22)19-13-5-6-15(18)14(17)12-13/h5-6,12H,2-4,7-11H2,1H3,(H,19,22)