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Details

Stereochemistry ACHIRAL
Molecular Formula C23H29N3O2S2
Molecular Weight 443.625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of THIOTHIXENE, (E)-

SMILES

CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C/CCN4CCN(C)CC4)C=C1

InChI

InChIKey=GFBKORZTTCHDGY-UFWORHAWSA-N
InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8+

HIDE SMILES / InChI

Molecular Formula C23H29N3O2S2
Molecular Weight 443.625
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:03:43 UTC 2023
Edited
by admin
on Sat Dec 16 09:03:43 UTC 2023
Record UNII
7UE42HF37R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOTHIXENE, (E)-
Common Name English
P-4657A
Code English
THIOTHIXENE TRANS-ISMER [MI]
Common Name English
9H-THIOXANTHENE-2-SULFONAMIDE, N,N-DIMETHYL-9-(3-(4-METHYL-1-PIPERAZINYL)PROPYLIDENE)-, (9E)-
Systematic Name English
(E)-THIOTHIXENE [USP-RS]
Common Name English
TRANS-THIOTHIXENE
Common Name English
(E)-THIOTHIXENE
Common Name English
N,N-DIMETHYL-9-(3-(4-METHYL-1-PIPERAZINYL)PROPYLIDENE)-9H-THIOXANTHENE-2-SULFONAMIDE, (E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
941650
Created by admin on Sat Dec 16 09:03:43 UTC 2023 , Edited by admin on Sat Dec 16 09:03:43 UTC 2023
PRIMARY
FDA UNII
7UE42HF37R
Created by admin on Sat Dec 16 09:03:43 UTC 2023 , Edited by admin on Sat Dec 16 09:03:43 UTC 2023
PRIMARY
CAS
3313-27-7
Created by admin on Sat Dec 16 09:03:43 UTC 2023 , Edited by admin on Sat Dec 16 09:03:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID401316424
Created by admin on Sat Dec 16 09:03:43 UTC 2023 , Edited by admin on Sat Dec 16 09:03:43 UTC 2023
PRIMARY
RS_ITEM_NUM
1666006
Created by admin on Sat Dec 16 09:03:43 UTC 2023 , Edited by admin on Sat Dec 16 09:03:43 UTC 2023
PRIMARY
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