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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-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=C(N=CC=C3)SC4=CC=CC=C4C2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O)Br

InChI

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