6-ethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-[2-(2-methyl-1-piperidyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-[2-(2-methyl-1-piperidinyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-[2-(2-methylpiperidino)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCCC3C)SC4=CC=CC=C41

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCCC3C)SC4=CC=CC=C41

InChI

InChI=1S/C24H29N3OS/c1-3-20-19-9-4-5-10-22(19)29-23-12-11-18(16-21(23)26-20)24(28)25-13-15-27-14-7-6-8-17(27)2/h4-5,9-12,16-17H,3,6-8,13-15H2,1-2H3,(H,25,28)