N-(3-butylsulfanylpropyl)-2-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)ethanamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)ethanamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide CAS Name: N-[3-(butylthio)propyl]-2-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)acetamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide Traditional Name: N-[3-(butylthio)propyl]-2-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)CN1C2=CC=CC=C2SC3=C(C1=O)C=CC=N3

Isomeric SMILES

CCCCSCCCNC(=O)CN1C2=CC=CC=C2SC3=C(C1=O)C=CC=N3

InChI

InChI=1S/C21H25N3O2S2/c1-2-3-13-27-14-7-12-22-19(25)15-24-17-9-4-5-10-18(17)28-20-16(21(24)26)8-6-11-23-20/h4-6,8-11H,2-3,7,12-15H2,1H3,(H,22,25)