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Details

Stereochemistry ACHIRAL
Molecular Formula C17H26N4S
Molecular Weight 318.48
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-(Dimethylamino)phenyl)-3-buten-2-one N-isobutylthiosemicarbazone

SMILES

CC(C)CNC(=S)N\N=C(C)\C=C\C1=CC=C(C=C1)N(C)C

InChI

InChIKey=MTQDXMTUELVTJC-KUZBFYBWSA-N
InChI=1S/C17H26N4S/c1-13(2)12-18-17(22)20-19-14(3)6-7-15-8-10-16(11-9-15)21(4)5/h6-11,13H,12H2,1-5H3,(H2,18,20,22)/b7-6+,19-14+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-55306
Preferred Name English
4-(4-(Dimethylamino)phenyl)-3-buten-2-one N-isobutylthiosemicarbazone
Systematic Name English
Hydrazinecarbothioamide, 2-[3-[4-(dimethylamino)phenyl]-1-methyl-2-propen-1-ylidene]-N-(2-methylpropyl)-
Systematic Name English
2-[3-[4-(Dimethylamino)phenyl]-1-methyl-2-propen-1-ylidene]-N-(2-methylpropyl)hydrazinecarbothioamide
Systematic Name English
Code System Code Type Description
FDA UNII
H737C6C8YY
Created by admin on Tue Apr 01 19:44:01 GMT 2025 , Edited by admin on Tue Apr 01 19:44:01 GMT 2025
PRIMARY
PUBCHEM
9561505
Created by admin on Tue Apr 01 19:44:01 GMT 2025 , Edited by admin on Tue Apr 01 19:44:01 GMT 2025
PRIMARY
NSC
55306
Created by admin on Tue Apr 01 19:44:01 GMT 2025 , Edited by admin on Tue Apr 01 19:44:01 GMT 2025
PRIMARY
CAS
7402-36-0
Created by admin on Tue Apr 01 19:44:01 GMT 2025 , Edited by admin on Tue Apr 01 19:44:01 GMT 2025
PRIMARY
NIH
NCATS
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