8-chloranyl-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol

Systemtic Name: 8-chloranyl-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol Openeye Name: 8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol CAS Name: 8-chloro-6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol Traditional Name: 8-chloro-6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol Formula: C19H21ClN2O2S MolecularWeight: 376.90024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=C2C=C(C=C4)Cl)O)O

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=C2C=C(C=C4)Cl)O)O

InChI

InChI=1S/C19H21ClN2O2S/c1-21-4-6-22(7-5-21)15-8-12-9-16(23)17(24)11-19(12)25-18-3-2-13(20)10-14(15)18/h2-3,9-11,15,23-24H,4-8H2,1H3