6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethylidene-N-(4-fluorobenzyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H19FN2OS MolecularWeight: 390.473163

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C2=CC=CC=C2SC3=C(N1)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC=C1C2=CC=CC=C2SC3=C(N1)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F

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/h2-13,26H,14H2,1H3,(H,25,27)