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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9N3S
Molecular Weight 143.21
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ISOTHIOUREIDOBUTYRONITRILE

SMILES

NC(=N)SCCCC#N

InChI

InChIKey=PRDJGNVQBVXXEO-UHFFFAOYSA-N
InChI=1S/C5H9N3S/c6-3-1-2-4-9-5(7)8/h1-2,4H2,(H3,7,8)

HIDE SMILES / InChI

Molecular Formula C5H9N3S
Molecular Weight 143.21
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:19:27 UTC 2023
Edited
by admin
on Sat Dec 16 09:19:27 UTC 2023
Record UNII
C3059TG1KN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-ISOTHIOUREIDOBUTYRONITRILE
Common Name English
KEVETRIN
Brand Name English
CARBAMIMIDOTHIOIC ACID, 3-CYANOPROPYL ESTER
Common Name English
Thioureidobutyronitrile [WHO-DD]
Common Name English
NSC-525990
Code English
THIOUREIDOBUTYRONITRILE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 502515
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
FDA ORPHAN DRUG 485615
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
FDA ORPHAN DRUG 503815
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
NCI_THESAURUS C274
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
Code System Code Type Description
FDA UNII
C3059TG1KN
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
PRIMARY
NCI_THESAURUS
C102881
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
PRIMARY
PUBCHEM
437740
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
PRIMARY
NSC
525990
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
PRIMARY
CAS
500863-50-3
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
PRIMARY
DRUG BANK
DB13010
Created by admin on Sat Dec 16 09:19:27 UTC 2023 , Edited by admin on Sat Dec 16 09:19:27 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
TARGET -> ACTIVATOR
Related Record Type Details
ACTIVE MOIETY