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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18N2O4S
Molecular Weight 322.379
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISISOPROPYL 2-THIOXO-1H-BENZIMIDAZOLE-1,3(2H)-DICARBOXYLATE

SMILES

CC(C)OC(=O)N1C(=S)N(C(=O)OC(C)C)C2=C1C=CC=C2

InChI

InChIKey=AZJYAGGEGMHNBK-UHFFFAOYSA-N
InChI=1S/C15H18N2O4S/c1-9(2)20-14(18)16-11-7-5-6-8-12(11)17(13(16)22)15(19)21-10(3)4/h5-10H,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H18N2O4S
Molecular Weight 322.379
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 Tue Apr 01 19:26:34 GMT 2025
Edited
by admin
on Tue Apr 01 19:26:34 GMT 2025
Record UNII
A93UD3BRB9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BIS(1-METHYLETHYL) 2-THIOXO-1H-BENZIMIDAZOLE-1,3(2H)-DICARBOXYLATE
Preferred Name English
BISISOPROPYL 2-THIOXO-1H-BENZIMIDAZOLE-1,3(2H)-DICARBOXYLATE
Systematic Name English
1H-BENZIMIDAZOLE-1,3(2H)-DICARBOXYLIC ACID, 2-THIOXO-, 1,3-BIS(1-METHYLETHYL) ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60240829
Created by admin on Tue Apr 01 19:26:34 GMT 2025 , Edited by admin on Tue Apr 01 19:26:34 GMT 2025
PRIMARY
FDA UNII
A93UD3BRB9
Created by admin on Tue Apr 01 19:26:34 GMT 2025 , Edited by admin on Tue Apr 01 19:26:34 GMT 2025
PRIMARY
PUBCHEM
3023807
Created by admin on Tue Apr 01 19:26:34 GMT 2025 , Edited by admin on Tue Apr 01 19:26:34 GMT 2025
PRIMARY
ECHA (EC/EINECS)
303-102-6
Created by admin on Tue Apr 01 19:26:34 GMT 2025 , Edited by admin on Tue Apr 01 19:26:34 GMT 2025
PRIMARY
CAS
94158-31-3
Created by admin on Tue Apr 01 19:26:34 GMT 2025 , Edited by admin on Tue Apr 01 19:26:34 GMT 2025
PRIMARY