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

Systemtic Name: 4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-phenylpropyl)butanamide Openeye Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-phenylpropyl)butanamide CAS Name: 4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)-N-(3-phenylpropyl)butanamide IUPAC Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-phenylpropyl)butanamide Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-phenylpropyl)butyramide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C25H25N3O2S/c29-23(26-16-6-11-19-9-2-1-3-10-19)15-8-18-28-21-13-4-5-14-22(21)31-24-20(25(28)30)12-7-17-27-24/h1-5,7,9-10,12-14,17H,6,8,11,15-16,18H2,(H,26,29)