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

Systemtic Name: N-(4-bromophenyl)-2-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)ethanamide Openeye Name: N-(4-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide CAS Name: N-(4-bromophenyl)-2-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)acetamide IUPAC Name: N-(4-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide Traditional Name: N-(4-bromophenyl)-2-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide Formula: C20H14BrN3O2S MolecularWeight: 440.31306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O2S/c21-13-7-9-14(10-8-13)23-18(25)12-24-16-5-1-2-6-17(16)27-19-15(20(24)26)4-3-11-22-19/h1-11H,12H2,(H,23,25)