6-ethyl-8-methyl-N-[1-(phenylmethyl)piperidin-4-yl]benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethyl-8-methyl-N-[1-(phenylmethyl)piperidin-4-yl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)SC5=C1C=C(C=C5)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)SC5=C1C=C(C=C5)C

InChI

InChI=1S/C29H31N3OS/c1-3-25-24-17-20(2)9-11-27(24)34-28-12-10-22(18-26(28)31-25)29(33)30-23-13-15-32(16-14-23)19-21-7-5-4-6-8-21/h4-12,17-18,23H,3,13-16,19H2,1-2H3,(H,30,33)