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

Systemtic Name: 3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(4-phenylbutan-2-yl)propanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide CAS Name: 3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)-N-(4-phenylbutan-2-yl)propanamide IUPAC Name: 3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(4-phenylbutan-2-yl)propanamide Traditional Name: 3-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(1-methyl-3-phenyl-propyl)propionamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C25H25N3O2S/c1-18(13-14-19-8-3-2-4-9-19)27-23(29)15-17-28-21-11-7-16-26-24(21)31-22-12-6-5-10-20(22)25(28)30/h2-12,16,18H,13-15,17H2,1H3,(H,27,29)