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Details

Stereochemistry ACHIRAL
Molecular Formula C20H23N3O2S2
Molecular Weight 401.546
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SHETA-2

SMILES

CC1(C)CC(C)(C)C2=CC(NC(=S)NC3=CC=C(C=C3)[N+]([O-])=O)=CC=C2S1

InChI

InChIKey=FWWKIYPMUZVMQG-UHFFFAOYSA-N
InChI=1S/C20H23N3O2S2/c1-19(2)12-20(3,4)27-17-10-7-14(11-16(17)19)22-18(26)21-13-5-8-15(9-6-13)23(24)25/h5-11H,12H2,1-4H3,(H2,21,22,26)

HIDE SMILES / InChI

Molecular Formula C20H23N3O2S2
Molecular Weight 401.546
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 18:26:50 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:50 GMT 2023
Record UNII
S886C92NJ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SHETA-2
Code English
THIOUREA, N-(3,4-DIHYDRO-2,2,4,4-TETRAMETHYL-2H-1-BENZOTHIOPYRAN-6-YL)-N'-(4-NITROPHENYL)-
Systematic Name English
N-(3,4-DIHYDRO-2,2,4,4-TETRAMETHYL-2H-1-BENZOTHIOPYRAN-6-YL)-N'-(4-NITROPHENYL)THIOUREA
Systematic Name English
SHETA2
Code English
NSC-726189
Code English
NSC-721689
Code English
Code System Code Type Description
NSC
726189
Created by admin on Sat Dec 16 18:26:50 GMT 2023 , Edited by admin on Sat Dec 16 18:26:50 GMT 2023
PRIMARY
CAS
361483-66-1
Created by admin on Sat Dec 16 18:26:50 GMT 2023 , Edited by admin on Sat Dec 16 18:26:50 GMT 2023
PRIMARY
NCI_THESAURUS
C181026
Created by admin on Sat Dec 16 18:26:50 GMT 2023 , Edited by admin on Sat Dec 16 18:26:50 GMT 2023
PRIMARY
NSC
721689
Created by admin on Sat Dec 16 18:26:50 GMT 2023 , Edited by admin on Sat Dec 16 18:26:50 GMT 2023
PRIMARY
FDA UNII
S886C92NJ7
Created by admin on Sat Dec 16 18:26:50 GMT 2023 , Edited by admin on Sat Dec 16 18:26:50 GMT 2023
PRIMARY
PUBCHEM
9844020
Created by admin on Sat Dec 16 18:26:50 GMT 2023 , Edited by admin on Sat Dec 16 18:26:50 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY