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

Systemtic Name: N-(3-methylbutyl)-2-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)ethanamide Openeye Name: N-isopentyl-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide CAS Name: N-(3-methylbutyl)-2-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)acetamide IUPAC Name: N-(3-methylbutyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide Traditional Name: N-isoamyl-2-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN1C2=CC=CC=C2SC3=C(C1=O)C=CC=N3

Isomeric SMILES

CC(C)CCNC(=O)CN1C2=CC=CC=C2SC3=C(C1=O)C=CC=N3

InChI

InChI=1S/C19H21N3O2S/c1-13(2)9-11-20-17(23)12-22-15-7-3-4-8-16(15)25-18-14(19(22)24)6-5-10-21-18/h3-8,10,13H,9,11-12H2,1-2H3,(H,20,23)