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

Systemtic Name: N,N-diethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine Openeye Name: N,N-diethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine CAS Name: N,N-diethyl-2-[[3-(methylthio)-5-benzo[b][1]benzoxepinyl]thio]ethanamine IUPAC Name: N,N-diethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethanamine Traditional Name: diethyl-[2-[[3-(methylthio)benzo[b][1]benzoxepin-5-yl]thio]ethyl]amine Formula: C21H25NOS2 MolecularWeight: 371.5593

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC

Isomeric SMILES

CCN(CC)CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC

InChI

InChI=1S/C21H25NOS2/c1-4-22(5-2)12-13-25-21-14-16-8-6-7-9-19(16)23-20-11-10-17(24-3)15-18(20)21/h6-11,14-15H,4-5,12-13H2,1-3H3