FJZ

N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

Created:2010-04-01
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count5
2D diagram of FJZ

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Chemical Component Summary

NameN-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Systematic Name (OpenEye OEToolkits)N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
FormulaC15 H24 N4 S
Molecular Weight292.443
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01S=C(NC1CCCCC1)N3CCC(c2cncn2)CC3
SMILESCACTVS3.370S=C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3
SMILESOpenEye OEToolkits1.7.0c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3
Canonical SMILESCACTVS3.370 S=C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3
Canonical SMILESOpenEye OEToolkits1.7.0 c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3
InChIInChI1.03 InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
InChIKeyInChI1.03 QKDDJDBFONZGBW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL260374
PubChem 5450, 3035905
ChEMBL CHEMBL260374
ChEBI CHEBI:81391