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

Systemtic Name: 6-ethyl-N-[(4-fluorophenyl)methyl]-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-[(4-fluorophenyl)methyl]-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-[(4-fluorophenyl)methyl]-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-[(4-fluorophenyl)methyl]-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-(4-fluorobenzyl)-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21FN2OS MolecularWeight: 404.499743

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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=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)F)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C24H21FN2OS/c1-3-20-19-12-15(2)4-10-22(19)29-23-11-7-17(13-21(23)27-20)24(28)26-14-16-5-8-18(25)9-6-16/h4-13H,3,14H2,1-2H3,(H,26,28)