3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine

Systemtic Name: 3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine Openeye Name: 3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine CAS Name: 3-chloro-6-(4-methyl-1-piperazinyl)benzo[b][1,4]benzothiazepine IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine Traditional Name: 3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzothiazepine Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3