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

Systemtic Name: N-(3-phenylpropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-phenylpropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-phenylpropyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-phenylpropyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-phenylpropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCC3=CC=CC=C3)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCC3=CC=CC=C3)SC4=CC=CC=C41

InChI

InChI=1S/C26H26N2OS/c1-2-9-22-21-13-6-7-14-24(21)30-25-16-15-20(18-23(25)28-22)26(29)27-17-8-12-19-10-4-3-5-11-19/h3-7,10-11,13-16,18H,2,8-9,12,17H2,1H3,(H,27,29)