N,N-dimethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine hydrobromide

Systemtic Name: N,N-dimethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine hydrobromide Openeye Name: N,N-dimethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine hydrobromide CAS Name: N,N-dimethyl-2-[[3-(methylthio)-5-benzo[b][1]benzoxepinyl]thio]ethanamine hydrobromide IUPAC Name: N,N-dimethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethanamine hydrobromide Traditional Name: dimethyl-[2-[[3-(methylthio)benzo[b][1]benzoxepin-5-yl]thio]ethyl]amine hydrobromide Formula: C19H22BrNOS2 MolecularWeight: 424.41808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC.Br

Isomeric SMILES

CN(C)CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC.Br

InChI

InChI=1S/C19H21NOS2.BrH/c1-20(2)10-11-23-19-12-14-6-4-5-7-17(14)21-18-9-8-15(22-3)13-16(18)19;/h4-9,12-13H,10-11H2,1-3H3;1H