N-(3-propan-2-yloxypropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-propan-2-yloxypropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-isopropoxypropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-propan-2-yloxypropyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-propan-2-yloxypropyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-isopropoxypropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=CC=CC=C31

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=CC=CC=C31

InChI

InChI=1S/C23H28N2O2S/c1-4-8-19-18-9-5-6-10-21(18)28-22-12-11-17(15-20(22)25-19)23(26)24-13-7-14-27-16(2)3/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H,24,26)