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

Systemtic Name: 8-bromanyl-6-ethyl-N-(3-phenylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-6-ethyl-N-(3-phenylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-6-ethyl-N-(3-phenylpropyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-6-ethyl-N-(3-phenylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-ethyl-N-(3-phenylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H23BrN2OS MolecularWeight: 479.43192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCC3=CC=CC=C3)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCC3=CC=CC=C3)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C25H23BrN2OS/c1-2-21-20-16-19(26)11-13-23(20)30-24-12-10-18(15-22(24)28-21)25(29)27-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,15-16H,2,6,9,14H2,1H3,(H,27,29)