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

Systemtic Name: N-[(4-fluorophenyl)methyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-fluorobenzyl)-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H15FN2O2S MolecularWeight: 378.419403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN2O2S/c22-15-8-5-13(6-9-15)12-23-20(25)14-7-10-19-17(11-14)24-21(26)16-3-1-2-4-18(16)27-19/h1-11H,12H2,(H,23,25)(H,24,26)