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Details

Stereochemistry ACHIRAL
Molecular Formula C21H13N5O5S
Molecular Weight 447.423
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-NITROPHENYLAMINO)-5-(3-BENZOYLAMINO-2,4,5-THIADIAZOLYL)-1,4-BENZENEDIONE

SMILES

[O-][N+](=O)C1=CC=C(NC2=CC(=O)C(=CC2=O)C3=NN=C(NC(=O)C4=CC=CC=C4)S3)C=C1

InChI

InChIKey=LMHVBAWMTKTSLW-UHFFFAOYSA-N
InChI=1S/C21H13N5O5S/c27-17-11-16(22-13-6-8-14(9-7-13)26(30)31)18(28)10-15(17)20-24-25-21(32-20)23-19(29)12-4-2-1-3-5-12/h1-11,22H,(H,23,25,29)

HIDE SMILES / InChI

Molecular Formula C21H13N5O5S
Molecular Weight 447.423
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 Sat Dec 16 08:19:23 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:23 GMT 2023
Record UNII
44753Q54SE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-NITROPHENYLAMINO)-5-(3-BENZOYLAMINO-2,4,5-THIADIAZOLYL)-1,4-BENZENEDIONE
Systematic Name English
BENZAMIDE, N-(5-(4-((4-NITROPHENYL)AMINO)-3,6-DIOXO-1,4-CYCLOHEXADIEN-1-YL)-1,3,4-THIADIAZOL-2-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10813312
Created by admin on Sat Dec 16 08:19:23 GMT 2023 , Edited by admin on Sat Dec 16 08:19:23 GMT 2023
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FDA UNII
44753Q54SE
Created by admin on Sat Dec 16 08:19:23 GMT 2023 , Edited by admin on Sat Dec 16 08:19:23 GMT 2023
PRIMARY
CAS
220042-15-9
Created by admin on Sat Dec 16 08:19:23 GMT 2023 , Edited by admin on Sat Dec 16 08:19:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID10944608
Created by admin on Sat Dec 16 08:19:23 GMT 2023 , Edited by admin on Sat Dec 16 08:19:23 GMT 2023
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