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Details

Stereochemistry RACEMIC
Molecular Formula C20H21F3N2O3S
Molecular Weight 426.453
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHOXY-.ALPHA.-(METHYLTHIO)-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)BENZENEPROPANAMIDE

SMILES

COC1=C(C=C(CC(SC)C(N)=O)C=C1)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChIKey=MPQHGQTWBNVECY-UHFFFAOYSA-N
InChI=1S/C20H21F3N2O3S/c1-28-16-8-5-13(10-17(29-2)18(24)26)9-15(16)19(27)25-11-12-3-6-14(7-4-12)20(21,22)23/h3-9,17H,10-11H2,1-2H3,(H2,24,26)(H,25,27)

HIDE SMILES / InChI

Molecular Formula C20H21F3N2O3S
Molecular Weight 426.453
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:02:21 GMT 2025
Edited
by admin
on Wed Apr 02 08:02:21 GMT 2025
Record UNII
2IV531K41D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHOXY-.ALPHA.-(METHYLTHIO)-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)BENZENEPROPANAMIDE
Systematic Name English
MK 767 METABOLITE M25
Preferred Name English
BENZENEPROPANAMIDE, 4-METHOXY-.ALPHA.-(METHYLTHIO)-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
2IV531K41D
Created by admin on Wed Apr 02 08:02:21 GMT 2025 , Edited by admin on Wed Apr 02 08:02:21 GMT 2025
PRIMARY
PUBCHEM
9910329
Created by admin on Wed Apr 02 08:02:21 GMT 2025 , Edited by admin on Wed Apr 02 08:02:21 GMT 2025
PRIMARY
CAS
330861-60-4
Created by admin on Wed Apr 02 08:02:21 GMT 2025 , Edited by admin on Wed Apr 02 08:02:21 GMT 2025
PRIMARY