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

Systemtic Name: 2-benzo[b][1]benzothiepin-5-ylsulfanyl-N,N-diethyl-ethanamine Openeye Name: 2-benzo[b][1]benzothiepin-5-ylsulfanyl-N,N-diethyl-ethanamine CAS Name: 2-(5-benzo[b][1]benzothiepinylthio)-N,N-diethylethanamine IUPAC Name: 2-benzo[b][1]benzothiepin-5-ylsulfanyl-N,N-diethylethanamine Traditional Name: 2-(benzo[b][1]benzothiepin-5-ylthio)ethyl-diethyl-amine Formula: C20H23NS2 MolecularWeight: 341.53332

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CCN(CC)CCSC1=CC2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C20H23NS2/c1-3-21(4-2)13-14-22-20-15-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)20/h5-12,15H,3-4,13-14H2,1-2H3