(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: (6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinyl)-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (6-ethyl-8-methylbenzo[b][1,4]benzothiazepin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-[4-(2-pyridyl)piperazino]methanone Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)SC5=C1C=C(C=C5)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)SC5=C1C=C(C=C5)C

InChI

InChI=1S/C26H26N4OS/c1-3-21-20-16-18(2)7-9-23(20)32-24-10-8-19(17-22(24)28-21)26(31)30-14-12-29(13-15-30)25-6-4-5-11-27-25/h4-11,16-17H,3,12-15H2,1-2H3