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

Systemtic Name: (8-methyl-6-propyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: (8-methyl-6-propyl-benzo[b][1,4]benzothiazepin-3-yl)-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: (8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinyl)-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (8-methyl-6-propylbenzo[b][1,4]benzothiazepin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: (8-methyl-6-propyl-benzo[b][1,4]benzothiazepin-3-yl)-[4-(2-pyridyl)piperazino]methanone Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)SC5=C1C=C(C=C5)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)SC5=C1C=C(C=C5)C

InChI

InChI=1S/C27H28N4OS/c1-3-6-22-21-17-19(2)8-10-24(21)33-25-11-9-20(18-23(25)29-22)27(32)31-15-13-30(14-16-31)26-7-4-5-12-28-26/h4-5,7-12,17-18H,3,6,13-16H2,1-2H3