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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H23ClN2O4S
Molecular Weight 458.958
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of A-292949

SMILES

CC(=O)N1CCN(CC1)C(=O)\C=C\C2=CC=C(SC3=CC=C4OCCOC4=C3)C(Cl)=C2

InChI

InChIKey=PZJWSJORJOUILO-XVNBXDOJSA-N
InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+

HIDE SMILES / InChI

Molecular Formula C23H23ClN2O4S
Molecular Weight 458.958
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 Mon Mar 31 23:29:37 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:37 GMT 2025
Record UNII
NUG7541QVZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-292949
Common Name English
2-PROPEN-1-ONE, 1-(4-ACETYL-1-PIPERAZINYL)-3-(3-CHLORO-4-((2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)THIO)PHENYL)-
Preferred Name English
PIPERAZINE, 1-ACETYL-4-((2E)-3-(3-CHLORO-4-((2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)THIO)PHENYL)-1-OXO-2-PROPENYL)-
Systematic Name English
2-PROPEN-1-ONE, 1-(4-ACETYL-1-PIPERAZINYL)-3-(3-CHLORO-4-((2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)THIO)PHENYL)-, (2E)-
Systematic Name English
Code System Code Type Description
FDA UNII
NUG7541QVZ
Created by admin on Mon Mar 31 23:29:37 GMT 2025 , Edited by admin on Mon Mar 31 23:29:37 GMT 2025
PRIMARY
CAS
280750-31-4
Created by admin on Mon Mar 31 23:29:37 GMT 2025 , Edited by admin on Mon Mar 31 23:29:37 GMT 2025
PRIMARY
PUBCHEM
9912035
Created by admin on Mon Mar 31 23:29:37 GMT 2025 , Edited by admin on Mon Mar 31 23:29:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID501320668
Created by admin on Mon Mar 31 23:29:37 GMT 2025 , Edited by admin on Mon Mar 31 23:29:37 GMT 2025
PRIMARY
CAS
609841-81-8
Created by admin on Mon Mar 31 23:29:37 GMT 2025 , Edited by admin on Mon Mar 31 23:29:37 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
ACTIVE MOIETY