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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-13-11-14(8-9-16(13)22)24-19(26)12-25-17-6-2-3-7-18(17)28-20-15(21(25)27)5-4-10-23-20/h2-11H,12H2,1H3,(H,24,26)