6-(4-methylpiperazin-1-yl)-2-methylsulfanyl-benzo[b][1,4]benzothiazepine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-2-methylsulfanyl-benzo[b][1,4]benzothiazepine Openeye Name: 6-(4-methylpiperazin-1-yl)-2-methylsulfanyl-benzo[b][1,4]benzothiazepine CAS Name: 6-(4-methyl-1-piperazinyl)-2-(methylthio)benzo[b][1,4]benzothiazepine IUPAC Name: 6-(4-methylpiperazin-1-yl)-2-methylsulfanylbenzo[b][1,4]benzothiazepine Traditional Name: 6-(4-methylpiperazino)-2-(methylthio)benzo[b][1,4]benzothiazepine Formula: C19H21N3S2 MolecularWeight: 355.52014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)SC)SC4=CC=CC=C42

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)SC)SC4=CC=CC=C42

InChI

InChI=1S/C19H21N3S2/c1-21-9-11-22(12-10-21)19-15-5-3-4-6-17(15)24-18-13-14(23-2)7-8-16(18)20-19/h3-8,13H,9-12H2,1-2H3