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

Systemtic Name: N-(4-bromophenyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Openeye Name: N-(4-bromophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: N-(4-bromophenyl)-4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanamide IUPAC Name: N-(4-bromophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Traditional Name: N-(4-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=C2C(=C1)N(C(=O)C3=C(S2)N=CC=C3)CCCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C3=C(S2)N=CC=C3)CCCC(=O)NC4=CC=C(C=C4)Br

InChI

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