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

Systemtic Name: 3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide CAS Name: 3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Traditional Name: N-benzyl-3-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)propionamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H19N3O2S/c26-20(24-15-16-7-2-1-3-8-16)12-14-25-18-10-6-13-23-21(18)28-19-11-5-4-9-17(19)22(25)27/h1-11,13H,12,14-15H2,(H,24,26)