N-methyl-2-[(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]ethanamine

Systemtic Name: N-methyl-2-[(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]ethanamine Openeye Name: N-methyl-2-[(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]ethanamine CAS Name: N-methyl-2-[[3-(methylthio)-5,6-dihydrobenzo[b][1]benzoxepin-5-yl]thio]ethanamine IUPAC Name: N-methyl-2-[(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]ethanamine Traditional Name: methyl-[2-[[3-(methylthio)-5,6-dihydrobenzo[b][1]benzoxepin-5-yl]thio]ethyl]amine Formula: C18H21NOS2 MolecularWeight: 331.49544

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1CC2=CC=CC=C2OC3=C1C=C(C=C3)SC

Isomeric SMILES

CNCCSC1CC2=CC=CC=C2OC3=C1C=C(C=C3)SC

InChI

InChI=1S/C18H21NOS2/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/h3-8,12,18-19H,9-11H2,1-2H3