2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazino]ethanol Formula: C21H26N2OS2 MolecularWeight: 386.57394

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)CCO

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)CCO

InChI

InChI=1S/C21H26N2OS2/c1-25-17-6-7-20-16(14-17)15-19(18-4-2-3-5-21(18)26-20)23-10-8-22(9-11-23)12-13-24/h2-7,14,19,24H,8-13,15H2,1H3