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

Systemtic Name: N,N-diethyl-2-[(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]ethanamine Openeye Name: N,N-diethyl-2-[(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]ethanamine CAS Name: N,N-diethyl-2-[[3-(methylthio)-5,6-dihydrobenzo[b][1]benzoxepin-5-yl]thio]ethanamine IUPAC Name: N,N-diethyl-2-[(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]ethanamine Traditional Name: diethyl-[2-[[3-(methylthio)-5,6-dihydrobenzo[b][1]benzoxepin-5-yl]thio]ethyl]amine Formula: C21H27NOS2 MolecularWeight: 373.57518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1CC2=CC=CC=C2OC3=C1C=C(C=C3)SC

Isomeric SMILES

CCN(CC)CCSC1CC2=CC=CC=C2OC3=C1C=C(C=C3)SC

InChI

InChI=1S/C21H27NOS2/c1-4-22(5-2)12-13-25-21-14-16-8-6-7-9-19(16)23-20-11-10-17(24-3)15-18(20)21/h6-11,15,21H,4-5,12-14H2,1-3H3