2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylsulfanyl)-N,N-diethyl-ethanamine

Systemtic Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylsulfanyl)-N,N-diethyl-ethanamine Openeye Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylsulfanyl)-N,N-diethyl-ethanamine CAS Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylthio)-N,N-diethylethanamine IUPAC Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylsulfanyl)-N,N-diethylethanamine Traditional Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylthio)ethyl-diethyl-amine Formula: C20H25NOS MolecularWeight: 327.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1CC2=CC=CC=C2OC3=CC=CC=C13

Isomeric SMILES

CCN(CC)CCSC1CC2=CC=CC=C2OC3=CC=CC=C13

InChI

InChI=1S/C20H25NOS/c1-3-21(4-2)13-14-23-20-15-16-9-5-7-11-18(16)22-19-12-8-6-10-17(19)20/h5-12,20H,3-4,13-15H2,1-2H3