5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3,8-diol

Systemtic Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3,8-diol Openeye Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3,8-diol CAS Name: 5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3,8-diol IUPAC Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3,8-diol Traditional Name: 5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3,8-diol Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=CC(=C3)O)SC4=C2C=C(C=C4)O

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=CC(=C3)O)SC4=C2C=C(C=C4)O

InChI

InChI=1S/C19H22N2O2S/c1-20-6-8-21(9-7-20)17-11-13-10-14(22)2-4-18(13)24-19-5-3-15(23)12-16(17)19/h2-5,10,12,17,22-23H,6-9,11H2,1H3