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

Systemtic Name: 8-bromanyl-6-ethyl-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-6-ethyl-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-6-ethyl-N-(1-phenylethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-6-ethyl-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-ethyl-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21BrN2OS MolecularWeight: 465.40534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NC(C)C3=CC=CC=C3)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC(C)C3=CC=CC=C3)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2OS/c1-3-20-19-14-18(25)10-12-22(19)29-23-11-9-17(13-21(23)27-20)24(28)26-15(2)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,26,28)