3-[4-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

Systemtic Name: 3-[4-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-[3-(methylthio)-5-benzo[b][1]benzothiepinyl]-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-[3-(methylthio)benzo[b][1]benzothiepin-5-yl]piperazino]propan-1-ol Formula: C22H26N2OS2 MolecularWeight: 398.58464

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)CCCO

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)CCCO

InChI

InChI=1S/C22H26N2OS2/c1-26-18-7-8-22-19(16-18)20(15-17-5-2-3-6-21(17)27-22)24-12-10-23(11-13-24)9-4-14-25/h2-3,5-8,15-16,25H,4,9-14H2,1H3