U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H23N3OS
Molecular Weight 377.503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOCARBANIDIN

SMILES

CC(C)COC1=CC=C(NC(=S)NC2=CC=C(C=C2)C3=NC=CC=C3)C=C1

InChI

InChIKey=WBZHNJKKIOZEEE-UHFFFAOYSA-N
InChI=1S/C22H23N3OS/c1-16(2)15-26-20-12-10-19(11-13-20)25-22(27)24-18-8-6-17(7-9-18)21-5-3-4-14-23-21/h3-14,16H,15H2,1-2H3,(H2,24,25,27)

HIDE SMILES / InChI

Molecular Formula C22H23N3OS
Molecular Weight 377.503
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 Mon Mar 31 18:07:56 GMT 2025
Edited
by admin
on Mon Mar 31 18:07:56 GMT 2025
Record UNII
370694U45W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOCARBANIDIN
Preferred Name English
Classification Tree Code System Code
NCI_THESAURUS C280
Created by admin on Mon Mar 31 18:07:56 GMT 2025 , Edited by admin on Mon Mar 31 18:07:56 GMT 2025
Code System Code Type Description
PUBCHEM
3002018
Created by admin on Mon Mar 31 18:07:56 GMT 2025 , Edited by admin on Mon Mar 31 18:07:56 GMT 2025
PRIMARY
ChEMBL
CHEMBL2107500
Created by admin on Mon Mar 31 18:07:56 GMT 2025 , Edited by admin on Mon Mar 31 18:07:56 GMT 2025
PRIMARY
FDA UNII
370694U45W
Created by admin on Mon Mar 31 18:07:56 GMT 2025 , Edited by admin on Mon Mar 31 18:07:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID30238819
Created by admin on Mon Mar 31 18:07:56 GMT 2025 , Edited by admin on Mon Mar 31 18:07:56 GMT 2025
PRIMARY
CAS
92-97-7
Created by admin on Mon Mar 31 18:07:56 GMT 2025 , Edited by admin on Mon Mar 31 18:07:56 GMT 2025
PRIMARY
NCI_THESAURUS
C76469
Created by admin on Mon Mar 31 18:07:56 GMT 2025 , Edited by admin on Mon Mar 31 18:07:56 GMT 2025
PRIMARY