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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCCCC3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCCCC3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C25H31N3OS/c1-3-21-20-16-18(2)8-10-23(20)30-24-11-9-19(17-22(24)27-21)25(29)26-12-15-28-13-6-4-5-7-14-28/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,26,29)