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

Systemtic Name: N-methyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine Openeye Name: N-methyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine CAS Name: N-methyl-2-[[3-(methylthio)-5-benzo[b][1]benzoxepinyl]thio]ethanamine IUPAC Name: N-methyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethanamine Traditional Name: methyl-[2-[[3-(methylthio)benzo[b][1]benzoxepin-5-yl]thio]ethyl]amine Formula: C18H19NOS2 MolecularWeight: 329.47956

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC

Isomeric SMILES

CNCCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC

InChI

InChI=1S/C18H19NOS2/c1-19-9-10-22-18-11-13-5-3-4-6-16(13)20-17-8-7-14(21-2)12-15(17)18/h3-8,11-12,19H,9-10H2,1-2H3