N-(4-bromanyl-2-fluoranyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C17H16BrFN2OS MolecularWeight: 395.289143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H16BrFN2OS/c18-12-6-7-14(13(19)10-12)20-17(22)11-21-8-3-9-23-16-5-2-1-4-15(16)21/h1-2,4-7,10H,3,8-9,11H2,(H,20,22)