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

Systemtic Name: N-(3-butylsulfanylpropyl)-4-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Openeye Name: N-(3-butylsulfanylpropyl)-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide CAS Name: N-[3-(butylthio)propyl]-4-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)butanamide IUPAC Name: N-(3-butylsulfanylpropyl)-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Traditional Name: N-[3-(butylthio)propyl]-4-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)butyramide Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)CCCN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O

Isomeric SMILES

CCCCSCCCNC(=O)CCCN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C23H29N3O2S2/c1-2-3-16-29-17-8-14-24-21(27)12-7-15-26-19-10-6-13-25-22(19)30-20-11-5-4-9-18(20)23(26)28/h4-6,9-11,13H,2-3,7-8,12,14-17H2,1H3,(H,24,27)