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

Systemtic Name: 3-methylsulfanyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Openeye Name: 3-methylsulfanyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol CAS Name: 3-(methylthio)-5-(1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-9-ol IUPAC Name: 3-methylsulfanyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Traditional Name: 3-(methylthio)-5-piperazino-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Formula: C19H22N2OS2 MolecularWeight: 358.52078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=C(CC2N4CCNCC4)C=CC(=C3)O

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=C(CC2N4CCNCC4)C=CC(=C3)O

InChI

InChI=1S/C19H22N2OS2/c1-23-15-4-5-18-16(12-15)17(21-8-6-20-7-9-21)10-13-2-3-14(22)11-19(13)24-18/h2-5,11-12,17,20,22H,6-10H2,1H3