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

Systemtic Name: 4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide Openeye Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide CAS Name: 4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)-N-[3-(1-pyrrolidinyl)propyl]butanamide IUPAC Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-pyrrolidinopropyl)butyramide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

C1CCN(C1)CCCNC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C23H28N4O2S/c28-21(24-13-7-16-26-14-3-4-15-26)11-6-17-27-19-9-1-2-10-20(19)30-22-18(23(27)29)8-5-12-25-22/h1-2,5,8-10,12H,3-4,6-7,11,13-17H2,(H,24,28)