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

Systemtic Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-thiol Openeye Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-thiol CAS Name: 5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-thiol IUPAC Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-thiol Traditional Name: 5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-thiol Formula: C19H22N2S2 MolecularWeight: 342.52138

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S

InChI

InChI=1S/C19H22N2S2/c1-20-8-10-21(11-9-20)17-12-14-4-2-3-5-18(14)23-19-7-6-15(22)13-16(17)19/h2-7,13,17,22H,8-12H2,1H3