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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21N5O3S
Molecular Weight 375.445
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-N-(5-(4-(1-(BENZO(D)(1,3)DIOXOL-5-YL)ETHYL)PIPERAZIN-1-YL)-1,3,4-THIA-DIAZOL-2-YL)ACETAMIDE

SMILES

C[C@H](N1CCN(CC1)C2=NN=C(NC(C)=O)S2)C3=CC4=C(OCO4)C=C3

InChI

InChIKey=PLUUAFJXXNCXSD-NSHDSACASA-N
InChI=1S/C17H21N5O3S/c1-11(13-3-4-14-15(9-13)25-10-24-14)21-5-7-22(8-6-21)17-20-19-16(26-17)18-12(2)23/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,23)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H21N5O3S
Molecular Weight 375.445
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:22 GMT 2023
Edited
by admin
on Sat Dec 16 16:33:22 GMT 2023
Record UNII
E9QIS63WUM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-N-(5-(4-(1-(BENZO(D)(1,3)DIOXOL-5-YL)ETHYL)PIPERAZIN-1-YL)-1,3,4-THIA-DIAZOL-2-YL)ACETAMIDE
Systematic Name English
ACETAMIDE, N-(5-(4-((1S)-1-(1,3-BENZODIOXOL-5-YL)ETHYL)-1-PIPERAZINYL)-1,3,4-THIADIAZOL-2-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
118903008
Created by admin on Sat Dec 16 16:33:22 GMT 2023 , Edited by admin on Sat Dec 16 16:33:22 GMT 2023
PRIMARY
FDA UNII
E9QIS63WUM
Created by admin on Sat Dec 16 16:33:22 GMT 2023 , Edited by admin on Sat Dec 16 16:33:22 GMT 2023
PRIMARY
SMS_ID
300000025420
Created by admin on Sat Dec 16 16:33:22 GMT 2023 , Edited by admin on Sat Dec 16 16:33:22 GMT 2023
PRIMARY