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

Systemtic Name: N-(2-phenylpropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-phenylpropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-phenylpropyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-phenylpropyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-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)NCC(C)C3=CC=CC=C3)SC4=CC=CC=C41

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2OS/c1-3-9-22-21-12-7-8-13-24(21)30-25-15-14-20(16-23(25)28-22)26(29)27-17-18(2)19-10-5-4-6-11-19/h4-8,10-16,18H,3,9,17H2,1-2H3,(H,27,29)