5-(2-methylsulfanylethylamino)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide

Systemtic Name: 5-(2-methylsulfanylethylamino)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide Openeye Name: 5-(2-methylsulfanylethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide CAS Name: 5-[2-(methylthio)ethylamino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide IUPAC Name: 5-(2-methylsulfanylethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-5-[2-(methylthio)ethylamino]valeramide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNCCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CSCCNCCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H26N4O2S/c1-29-14-13-23-12-5-4-11-20(27)24-17-8-6-7-16(15-17)21-18-9-2-3-10-19(18)22(28)26-25-21/h2-3,6-10,15,23H,4-5,11-14H2,1H3,(H,24,27)(H,26,28)