3-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-[4-(1-piperidyl)piperidine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-piperidinopiperidine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C24H27N3O2S/c28-23-19-6-2-3-7-21(19)30-22-9-8-17(16-20(22)25-23)24(29)27-14-10-18(11-15-27)26-12-4-1-5-13-26/h2-3,6-9,16,18H,1,4-5,10-15H2,(H,25,28)