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

Systemtic Name: 8-chloranyl-6-ethyl-N-[(4-fluorophenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-ethyl-N-[(4-fluorophenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-ethyl-N-[(4-fluorophenyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-6-ethyl-N-[(4-fluorophenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-ethyl-N-(4-fluorobenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H18ClFN2OS MolecularWeight: 424.918223

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClFN2OS/c1-2-19-18-12-16(24)6-10-21(18)29-22-9-5-15(11-20(22)27-19)23(28)26-13-14-3-7-17(25)8-4-14/h3-12H,2,13H2,1H3,(H,26,28)