N-hexyl-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-hexyl-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-hexyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-hexyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-hexyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-hexyl-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H22N2O2S/c1-2-3-4-7-12-21-19(23)14-10-11-18-16(13-14)22-20(24)15-8-5-6-9-17(15)25-18/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,21,23)(H,22,24)