8-chloranyl-5-(1-phenethylpiperidin-4-yl)-6H-benzo[b][1,4]benzothiazepine

Systemtic Name: 8-chloranyl-5-(1-phenethylpiperidin-4-yl)-6H-benzo[b][1,4]benzothiazepine Openeye Name: 8-chloro-5-(1-phenethyl-4-piperidyl)-6H-benzo[b][1,4]benzothiazepine CAS Name: 8-chloro-5-(1-phenethyl-4-piperidinyl)-6H-benzo[b][1,4]benzothiazepine IUPAC Name: 8-chloro-5-(1-phenethylpiperidin-4-yl)-6H-benzo[b][1,4]benzothiazepine Traditional Name: 8-chloro-5-(1-phenethyl-4-piperidyl)-6H-benzo[b][1,4]benzothiazepine Formula: C26H27ClN2S MolecularWeight: 435.02398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42)CCC5=CC=CC=C5

InChI

InChI=1S/C26H27ClN2S/c27-22-10-11-25-21(18-22)19-29(24-8-4-5-9-26(24)30-25)23-13-16-28(17-14-23)15-12-20-6-2-1-3-7-20/h1-11,18,23H,12-17,19H2