N-(2-bromophenyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide

Systemtic Name: N-(2-bromophenyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Openeye Name: N-(2-bromophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: N-(2-bromophenyl)-4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanamide IUPAC Name: N-(2-bromophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Traditional Name: N-(2-bromophenyl)-4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)butyramide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4)Br

InChI

InChI=1S/C22H18BrN3O2S/c23-16-8-1-2-9-17(16)25-20(27)12-6-14-26-18-10-3-4-11-19(18)29-21-15(22(26)28)7-5-13-24-21/h1-5,7-11,13H,6,12,14H2,(H,25,27)