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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N4O2S
Molecular Weight 278.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-hydroxypropyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

SMILES

NC(=S)N\N=C1\C(=O)N(CCCO)C2=C1C=CC=C2

InChI

InChIKey=DHDNHTJEMFTIAV-GXDHUFHOSA-N
InChI=1S/C12H14N4O2S/c13-12(19)15-14-10-8-4-1-2-5-9(8)16(11(10)18)6-3-7-17/h1-2,4-5,17H,3,6-7H2,(H3,13,15,19)/b14-10+

HIDE SMILES / InChI

Molecular Formula C12H14N4O2S
Molecular Weight 278.33
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 19:57:14 GMT 2025
Edited
by admin
on Tue Apr 01 19:57:14 GMT 2025
Record UNII
3VF2EDA8PD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-376243
Preferred Name English
1-(3-hydroxypropyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
Systematic Name English
2-(1,2-DIHYDRO-1-(3-HYDROXYPROPYL)-2-OXO-3H-INDOL-3-YLIDENE)-, HYDRAZINECARBOTHIOAMIDE
Systematic Name English
Hydrazinecarbothioamide, 2-[1,2-dihydro-1-(3-hydroxypropyl)-2-oxo-3H-indol-3-ylidene]-
Systematic Name English
Code System Code Type Description
NSC
376243
Created by admin on Tue Apr 01 19:57:14 GMT 2025 , Edited by admin on Tue Apr 01 19:57:14 GMT 2025
PRIMARY
PUBCHEM
5385033
Created by admin on Tue Apr 01 19:57:14 GMT 2025 , Edited by admin on Tue Apr 01 19:57:14 GMT 2025
PRIMARY
FDA UNII
3VF2EDA8PD
Created by admin on Tue Apr 01 19:57:14 GMT 2025 , Edited by admin on Tue Apr 01 19:57:14 GMT 2025
PRIMARY
CAS
97095-40-4
Created by admin on Tue Apr 01 19:57:14 GMT 2025 , Edited by admin on Tue Apr 01 19:57:14 GMT 2025
PRIMARY