U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H11N5S
Molecular Weight 245.304
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of [(5-Aminoisoquinolin-1-yl)methylideneamino]thiourea

SMILES

NC(=S)N\N=C\C1=C2C=CC=C(N)C2=CC=N1

InChI

InChIKey=MLTULNASULCZLR-GIDUJCDVSA-N
InChI=1S/C11H11N5S/c12-9-3-1-2-8-7(9)4-5-14-10(8)6-15-16-11(13)17/h1-6H,12H2,(H3,13,16,17)/b15-6+

HIDE SMILES / InChI

Molecular Formula C11H11N5S
Molecular Weight 245.304
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:00:05 GMT 2025
Edited
by admin
on Tue Apr 01 20:00:05 GMT 2025
Record UNII
2DZZ7LKL6G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-205105
Preferred Name English
[(5-Aminoisoquinolin-1-yl)methylideneamino]thiourea
Systematic Name English
5-AMINO-1-FORMYLISOQUINOLINE THIOSEMICARBAZONE
Systematic Name English
Isoquinaldaldehyde, 5-amino-, thiosemicarbazone
Systematic Name English
2-[(5-Amino-1-isoquinolinyl)methylene]hydrazinecarbothioamide
Systematic Name English
Hydrazinecarbothioamide, 2-[(5-amino-1-isoquinolinyl)methylene]-, (2E)-
Systematic Name English
(E)-2-((5-Aminoisoquinolin-1-yl)methylene)hydrazine-1-carbothioamide
Systematic Name English
[(E)-[(5-aminoisoquinolin-1-yl)methylidene]amino]thiourea
Systematic Name English
Code System Code Type Description
PUBCHEM
3034621
Created by admin on Tue Apr 01 20:00:05 GMT 2025 , Edited by admin on Tue Apr 01 20:00:05 GMT 2025
PRIMARY
FDA UNII
2DZZ7LKL6G
Created by admin on Tue Apr 01 20:00:05 GMT 2025 , Edited by admin on Tue Apr 01 20:00:05 GMT 2025
PRIMARY
CAS
2366254-89-7
Created by admin on Tue Apr 01 20:00:05 GMT 2025 , Edited by admin on Tue Apr 01 20:00:05 GMT 2025
PRIMARY
NSC
205105
Created by admin on Tue Apr 01 20:00:05 GMT 2025 , Edited by admin on Tue Apr 01 20:00:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID70942488
Created by admin on Tue Apr 01 20:00:05 GMT 2025 , Edited by admin on Tue Apr 01 20:00:05 GMT 2025
PRIMARY
CAS
20335-57-3
Created by admin on Tue Apr 01 20:00:05 GMT 2025 , Edited by admin on Tue Apr 01 20:00:05 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY