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

Systemtic Name: 4-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide CAS Name: 4-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Traditional Name: N-benzyl-4-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)butyramide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C23H21N3O2S/c27-21(25-16-17-8-2-1-3-9-17)13-7-15-26-19-11-6-14-24-22(19)29-20-12-5-4-10-18(20)23(26)28/h1-6,8-12,14H,7,13,15-16H2,(H,25,27)