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

Systemtic Name: 4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-pyridylmethyl)butanamide CAS Name: 4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-pyridylmethyl)butyramide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C3=C(S2)N=CC=C3)CCCC(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C3=C(S2)N=CC=C3)CCCC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H20N4O2S/c27-20(25-15-16-6-3-11-23-14-16)10-5-13-26-18-8-1-2-9-19(18)29-21-17(22(26)28)7-4-12-24-21/h1-4,6-9,11-12,14H,5,10,13,15H2,(H,25,27)