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

Systemtic Name: 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propane-1,2-diol Openeye Name: 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propane-1,2-diol CAS Name: 3-[4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]propane-1,2-diol IUPAC Name: 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propane-1,2-diol Traditional Name: 3-[4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazino]propane-1,2-diol Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CC(CO)O

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CC(CO)O

InChI

InChI=1S/C22H28N2O2S2/c1-27-18-6-7-22-19(13-18)20(12-16-4-2-3-5-21(16)28-22)24-10-8-23(9-11-24)14-17(26)15-25/h2-7,13,17,20,25-26H,8-12,14-15H2,1H3