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

Systemtic Name: N-(3-methylbutyl)-3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Openeye Name: N-isopentyl-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide CAS Name: N-(3-methylbutyl)-3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)propanamide IUPAC Name: N-(3-methylbutyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Traditional Name: N-isoamyl-3-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)propionamide Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O

Isomeric SMILES

CC(C)CCNC(=O)CCN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C20H23N3O2S/c1-14(2)9-12-21-18(24)10-13-23-16-7-5-11-22-19(16)26-17-8-4-3-6-15(17)20(23)25/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,24)