4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2-methylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2-methylpropyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-isobutyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methylpropyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-isobutyl-piperazine-1-carbothioamide Formula: C16H23ClFN3S MolecularWeight: 343.890323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClFN3S/c1-12(2)10-19-16(22)21-7-5-20(6-8-21)11-13-3-4-15(18)14(17)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,22)