N-[2-(azepan-1-yl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCCCC3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCCCC3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H33N3OS/c1-3-8-22-21-17-19(2)9-11-24(21)31-25-12-10-20(18-23(25)28-22)26(30)27-13-16-29-14-6-4-5-7-15-29/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,27,30)