N-butyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-butyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-butyl-4-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-butyl-4-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C16H24FN3S MolecularWeight: 309.445263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FN3S/c1-2-3-8-18-16(21)20-11-9-19(10-12-20)13-14-4-6-15(17)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,18,21)