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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(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)10-5-13-26-18-8-4-12-24-21(18)29-19-9-2-1-7-17(19)22(26)28/h1-4,6-9,11-12,14H,5,10,13,15H2,(H,25,27)