3-chloranyl-6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzothiazepine hydrochloride

Systemtic Name: 3-chloranyl-6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzothiazepine hydrochloride Openeye Name: 3-chloro-6-(4-isopropylpiperazin-1-yl)benzo[b][1,4]benzothiazepine hydrochloride CAS Name: 3-chloro-6-(4-propan-2-yl-1-piperazinyl)benzo[b][1,4]benzothiazepine hydrochloride IUPAC Name: 3-chloro-6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzothiazepine hydrochloride Traditional Name: 3-chloro-6-(4-isopropylpiperazino)benzo[b][1,4]benzothiazepine hydrochloride Formula: C20H23Cl2N3S MolecularWeight: 408.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42.Cl

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42.Cl

InChI

InChI=1S/C20H22ClN3S.ClH/c1-14(2)23-9-11-24(12-10-23)20-16-5-3-4-6-18(16)25-19-8-7-15(21)13-17(19)22-20;/h3-8,13-14H,9-12H2,1-2H3;1H