trans-prothiadene hydrochloride
Molecular Formula:
C
19
H
22
ClNS
InChI:
InChI=1/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;/fC19H22NS.Cl/h20H;1h/q+1;-1
InChIKey:
InChIKey=XUPZAARQDNSRJB-PUTPZEKNDS
SMILES:
[Cl-].[H][N+](C)(C)CC\C=C1/c2ccccc2CSc3ccccc13
CAS number 25627-36-5
Names:
trans-dothiepin hydrochloride
trans-prothiadene hydrochloride
trans-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride
Registries:
PubChem CID 6433931
Beilstein =3637519
CAS 25627-36-5 (from NIST)
ChEBI 36805
PubChem ID 11620721