27A

(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide

Created: 2009-03-27
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count39
Aromatic Bond Count6
2D diagram of 27A
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Chemical Component Summary

Name(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide
Systematic Name (OpenEye OEToolkits)(Z)-[2-(4-methylpiperazin-1-yl)phenyl]methyliminothiourea
FormulaC13 H19 N5 S
Molecular Weight277.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04S=C(/N=N\Cc2c(N1CCN(C)CC1)cccc2)N
SMILESCACTVS3.341CN1CCN(CC1)c2ccccc2CN=NC(N)=S
SMILESOpenEye OEToolkits1.5.0CN1CCN(CC1)c2ccccc2CN=NC(=S)N
Canonical SMILESCACTVS3.341 CN1CCN(CC1)c2ccccc2CN=NC(N)=S
Canonical SMILESOpenEye OEToolkits1.5.0 CN1CCN(CC1)c2ccccc2C/N=N\C(=S)N
InChIInChI1.03 InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)/b16-15-
InChIKeyInChI1.03 KAASZVAHBVMHCO-NXVVXOECSA-N

Drug Info: DrugBank

DrugBank IDDB06941 
Name(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide
Groups experimental
Description(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide is a solid. This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. This drug targets the protein S100B.
Synonyms(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Protein S100-BMSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKE...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682