N-[(4-fluorophenyl)methyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-fluorobenzyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21FN2OS MolecularWeight: 404.499743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)F)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)F)SC4=CC=CC=C41

InChI

InChI=1S/C24H21FN2OS/c1-2-5-20-19-6-3-4-7-22(19)29-23-13-10-17(14-21(23)27-20)24(28)26-15-16-8-11-18(25)12-9-16/h3-4,6-14H,2,5,15H2,1H3,(H,26,28)