N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-yl-pentanamide

Systemtic Name: N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-yl-pentanamide Openeye Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholino-pentanamide CAS Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide IUPAC Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-5-thiomorpholino-valeramide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CCCCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CSCCN1CCCCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H26N4O2S/c28-21(10-3-4-11-27-12-14-30-15-13-27)24-18-7-5-6-17(16-18)22-19-8-1-2-9-20(19)23(29)26-25-22/h1-2,5-9,16H,3-4,10-15H2,(H,24,28)(H,26,29)