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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H27N3O3S
Molecular Weight 413.533
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WIN-71425

SMILES

CCN(CC)CCNC1=CC=C(CNC=O)C2=C1C(=O)C3=CC(OC)=CC=C3S2

InChI

InChIKey=GWLFIMOOGVXSMZ-UHFFFAOYSA-N
InChI=1S/C22H27N3O3S/c1-4-25(5-2)11-10-24-18-8-6-15(13-23-14-26)22-20(18)21(27)17-12-16(28-3)7-9-19(17)29-22/h6-9,12,14,24H,4-5,10-11,13H2,1-3H3,(H,23,26)

HIDE SMILES / InChI

Molecular Formula C22H27N3O3S
Molecular Weight 413.533
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
115755X1L7
Record Status Validated (UNII)
Record Version