N-butyl-4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-butyl-4-[(3-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbothioamide CAS Name: N-butyl-4-[(3-chloro-4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[(3-chloro-4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-butyl-4-(3-chloro-4-fluoro-benzyl)piperazine-1-carbothioamide Formula: C16H23ClFN3S MolecularWeight: 343.890323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H23ClFN3S/c1-2-3-6-19-16(22)21-9-7-20(8-10-21)12-13-4-5-15(18)14(17)11-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,22)