8-methyl-3-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane

Systemtic Name: 8-methyl-3-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane Openeye Name: 8-methyl-3-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane CAS Name: 8-methyl-3-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-3,8-diazabicyclo[3.2.1]octane IUPAC Name: 8-methyl-3-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane Traditional Name: 8-methyl-3-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-3,8-diazabicyclo[3.2.1]octane Formula: C22H26N2S2 MolecularWeight: 382.58524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CN(C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)SC

Isomeric SMILES

CN1C2CCC1CN(C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)SC

InChI

InChI=1S/C22H26N2S2/c1-23-16-7-8-17(23)14-24(13-16)20-11-15-5-3-4-6-21(15)26-22-10-9-18(25-2)12-19(20)22/h3-6,9-10,12,16-17,20H,7-8,11,13-14H2,1-2H3