2-benzo[b][1]benzothiepin-5-ylsulfanyl-N-methyl-ethanamine

Systemtic Name: 2-benzo[b][1]benzothiepin-5-ylsulfanyl-N-methyl-ethanamine Openeye Name: 2-benzo[b][1]benzothiepin-5-ylsulfanyl-N-methyl-ethanamine CAS Name: 2-(5-benzo[b][1]benzothiepinylthio)-N-methylethanamine IUPAC Name: 2-benzo[b][1]benzothiepin-5-ylsulfanyl-N-methylethanamine Traditional Name: 2-(benzo[b][1]benzothiepin-5-ylthio)ethyl-methyl-amine Formula: C17H17NS2 MolecularWeight: 299.45358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1=CC2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CNCCSC1=CC2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C17H17NS2/c1-18-10-11-19-17-12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9,12,18H,10-11H2,1H3