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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)propionamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O)Br

InChI

InChI=1S/C22H18BrN3O2S/c1-14-13-15(8-9-17(14)23)25-20(27)10-12-26-18-6-4-11-24-21(18)29-19-7-3-2-5-16(19)22(26)28/h2-9,11,13H,10,12H2,1H3,(H,25,27)