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

Systemtic Name: 8-methyl-N-(1-phenylethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-methyl-N-(1-phenylethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-methyl-N-(1-phenylethyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-methyl-N-(1-phenylethyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-methyl-N-(1-phenylethyl)-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)NC(C)C3=CC=CC=C3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NC(C)C3=CC=CC=C3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H26N2OS/c1-4-8-22-21-15-17(2)11-13-24(21)30-25-14-12-20(16-23(25)28-22)26(29)27-18(3)19-9-6-5-7-10-19/h5-7,9-16,18H,4,8H2,1-3H3,(H,27,29)