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

Systemtic Name: 6-ethyl-N-[3-(2-ethylpiperidin-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-[3-(2-ethyl-1-piperidyl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-[3-(2-ethyl-1-piperidinyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-[3-(2-ethylpiperidin-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-[3-(2-ethylpiperidino)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)CC

Isomeric SMILES

CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)CC

InChI

InChI=1S/C26H33N3OS/c1-3-20-10-7-8-16-29(20)17-9-15-27-26(30)19-13-14-25-23(18-19)28-22(4-2)21-11-5-6-12-24(21)31-25/h5-6,11-14,18,20H,3-4,7-10,15-17H2,1-2H3,(H,27,30)