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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22N4O2S
Molecular Weight 358.458
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(6-benzothiazolylmethylene)-3,5-dihydro-2-[[(1S)-1-(methoxymethyl)-3-methylbutyl]amino]-4H-Imidazol-4-one, (5Z)-

SMILES

COC[C@@H](CC(C)C)NC1=N\C(=C/C2=CC=C3N=CSC3=C2)C(=O)N1

InChI

InChIKey=CHQYAWLKOUOTQO-QVYJARAXSA-N
InChI=1S/C18H22N4O2S/c1-11(2)6-13(9-24-3)20-18-21-15(17(23)22-18)7-12-4-5-14-16(8-12)25-10-19-14/h4-5,7-8,10-11,13H,6,9H2,1-3H3,(H2,20,21,22,23)/b15-7-/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22N4O2S
Molecular Weight 358.458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:33:43 GMT 2025
Edited
by admin
on Wed Apr 02 19:33:43 GMT 2025
Record UNII
F5A38P48PV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Leucettinib-21
Preferred Name English
5-(6-benzothiazolylmethylene)-3,5-dihydro-2-[[(1S)-1-(methoxymethyl)-3-methylbutyl]amino]-4H-Imidazol-4-one, (5Z)-
Systematic Name English
4H-Imidazol-4-one, 5-(6-benzothiazolylmethylene)-3,5-dihydro-2-[[(1S)-1-(methoxymethyl)-3-methylbutyl]amino]-, (5Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
F5A38P48PV
Created by admin on Wed Apr 02 19:33:43 GMT 2025 , Edited by admin on Wed Apr 02 19:33:43 GMT 2025
PRIMARY
SMS_ID
300000051401
Created by admin on Wed Apr 02 19:33:43 GMT 2025 , Edited by admin on Wed Apr 02 19:33:43 GMT 2025
PRIMARY
PUBCHEM
162346700
Created by admin on Wed Apr 02 19:33:43 GMT 2025 , Edited by admin on Wed Apr 02 19:33:43 GMT 2025
PRIMARY
CAS
2732859-77-5
Created by admin on Wed Apr 02 19:33:43 GMT 2025 , Edited by admin on Wed Apr 02 19:33:43 GMT 2025
PRIMARY
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