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Details

Stereochemistry ACHIRAL
Molecular Formula C25H29F3N4OS
Molecular Weight 490.584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVE-5997

SMILES

CC1=CC=C(NC(=O)NCCCCN2CCN(CC2)C3=CSC4=CC(=CC=C34)C(F)(F)F)C=C1

InChI

InChIKey=XVFIYMFVLGFALY-UHFFFAOYSA-N
InChI=1S/C25H29F3N4OS/c1-18-4-7-20(8-5-18)30-24(33)29-10-2-3-11-31-12-14-32(15-13-31)22-17-34-23-16-19(25(26,27)28)6-9-21(22)23/h4-9,16-17H,2-3,10-15H2,1H3,(H2,29,30,33)

HIDE SMILES / InChI

Molecular Formula C25H29F3N4OS
Molecular Weight 490.584
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 13:37:14 UTC 2023
Edited
by admin
on Sat Dec 16 13:37:14 UTC 2023
Record UNII
7E6G867INX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVE-5997
Common Name English
UREA, N-(4-METHYLPHENYL)-N'-(4-(4-(6-(TRIFLUOROMETHYL)BENZO(B)THIEN-3-YL)-1-PIPERAZINYL)BUTYL)-
Systematic Name English
1-P-TOLYL-3-(4-(4-(6-TRIFLUOROMETHYLBENZO(B)THIEN-3-YL)PIPERAZIN-1-YL)BUTYL)UREA
Systematic Name English
Code System Code Type Description
CAS
452917-21-4
Created by admin on Sat Dec 16 13:37:14 UTC 2023 , Edited by admin on Sat Dec 16 13:37:14 UTC 2023
PRIMARY
FDA UNII
7E6G867INX
Created by admin on Sat Dec 16 13:37:14 UTC 2023 , Edited by admin on Sat Dec 16 13:37:14 UTC 2023
PRIMARY
PUBCHEM
9891761
Created by admin on Sat Dec 16 13:37:14 UTC 2023 , Edited by admin on Sat Dec 16 13:37:14 UTC 2023
PRIMARY
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