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

Systemtic Name: 6-ethyl-N-[(4-fluorophenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-[(4-fluorophenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-[(4-fluorophenyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-[(4-fluorophenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-(4-fluorobenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H19FN2OS MolecularWeight: 390.473163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)F)SC4=CC=CC=C41

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)F)SC4=CC=CC=C41

InChI

InChI=1S/C23H19FN2OS/c1-2-19-18-5-3-4-6-21(18)28-22-12-9-16(13-20(22)26-19)23(27)25-14-15-7-10-17(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,27)