(4-piperidin-1-ylpiperidin-1-yl)-(6-propylbenzo[b][1,4]benzothiazepin-3-yl)methanone

Systemtic Name: (4-piperidin-1-ylpiperidin-1-yl)-(6-propylbenzo[b][1,4]benzothiazepin-3-yl)methanone Openeye Name: [4-(1-piperidyl)-1-piperidyl]-(6-propylbenzo[b][1,4]benzothiazepin-3-yl)methanone CAS Name: [4-(1-piperidinyl)-1-piperidinyl]-(6-propyl-3-benzo[b][1,4]benzothiazepinyl)methanone IUPAC Name: (4-piperidin-1-ylpiperidin-1-yl)-(6-propylbenzo[b][1,4]benzothiazepin-3-yl)methanone Traditional Name: (4-piperidinopiperidino)-(6-propylbenzo[b][1,4]benzothiazepin-3-yl)methanone Formula: C27H33N3OS MolecularWeight: 447.63542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)N4CCCCC4)SC5=CC=CC=C51

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)N4CCCCC4)SC5=CC=CC=C51

InChI

InChI=1S/C27H33N3OS/c1-2-8-23-22-9-4-5-10-25(22)32-26-12-11-20(19-24(26)28-23)27(31)30-17-13-21(14-18-30)29-15-6-3-7-16-29/h4-5,9-12,19,21H,2-3,6-8,13-18H2,1H3