3-methylsulfanyl-5-[4-(3-oxidanylpropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol

Systemtic Name: 3-methylsulfanyl-5-[4-(3-oxidanylpropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Openeye Name: 5-[4-(3-hydroxypropyl)piperazin-1-yl]-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol CAS Name: 5-[4-(3-hydroxypropyl)-1-piperazinyl]-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-9-ol IUPAC Name: 5-[4-(3-hydroxypropyl)piperazin-1-yl]-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Traditional Name: 5-[4-(3-hydroxypropyl)piperazino]-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCCO)C=CC(=C3)O

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCCO)C=CC(=C3)O

InChI

InChI=1S/C22H28N2O2S2/c1-27-18-5-6-21-19(15-18)20(13-16-3-4-17(26)14-22(16)28-21)24-10-8-23(9-11-24)7-2-12-25/h3-6,14-15,20,25-26H,2,7-13H2,1H3