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

Systemtic Name: N-cycloheptyl-3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Openeye Name: N-cycloheptyl-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide CAS Name: N-cycloheptyl-3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)propanamide IUPAC Name: N-cycloheptyl-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Traditional Name: N-cycloheptyl-3-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H25N3O2S/c26-20(24-16-8-3-1-2-4-9-16)13-15-25-18-11-7-14-23-21(18)28-19-12-6-5-10-17(19)22(25)27/h5-7,10-12,14,16H,1-4,8-9,13,15H2,(H,24,26)