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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3C(CCCC3C)C)SC4=CC=CC=C41

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3C(CCCC3C)C)SC4=CC=CC=C41

InChI

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