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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H22N4O2S2
Molecular Weight 354.491
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALLITHIAMINE

SMILES

C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCO)SSCC=C

InChI

InChIKey=WNCAVNGLACHSRZ-KAMYIIQDSA-N
InChI=1S/C15H22N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h4,8,10,20H,1,5-7,9H2,2-3H3,(H2,16,17,18)/b14-11-

HIDE SMILES / InChI

Approval Year