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

Systemtic Name: 2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(3-propylsulfanylpropyl)ethanamide Openeye Name: 2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(3-propylsulfanylpropyl)acetamide CAS Name: 2-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)-N-[3-(propylthio)propyl]acetamide IUPAC Name: 2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(3-propylsulfanylpropyl)acetamide Traditional Name: 2-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-[3-(propylthio)propyl]acetamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)CN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O

Isomeric SMILES

CCCSCCCNC(=O)CN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C20H23N3O2S2/c1-2-12-26-13-6-11-21-18(24)14-23-16-8-5-10-22-19(16)27-17-9-4-3-7-15(17)20(23)25/h3-5,7-10H,2,6,11-14H2,1H3,(H,21,24)