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

Systemtic Name: N-ethyl-N-methyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine Openeye Name: N-ethyl-N-methyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine CAS Name: N-ethyl-N-methyl-2-[[3-(methylthio)-5-benzo[b][1]benzoxepinyl]thio]ethanamine IUPAC Name: N-ethyl-N-methyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethanamine Traditional Name: ethyl-methyl-[2-[[3-(methylthio)benzo[b][1]benzoxepin-5-yl]thio]ethyl]amine Formula: C20H23NOS2 MolecularWeight: 357.53272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NOS2/c1-4-21(2)11-12-24-20-13-15-7-5-6-8-18(15)22-19-10-9-16(23-3)14-17(19)20/h5-10,13-14H,4,11-12H2,1-3H3