2-(2-morpholin-4-ylethylsulfanyl)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(2-morpholin-4-ylethylsulfanyl)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]ethanamide Openeye Name: 2-(2-morpholinoethylsulfanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide CAS Name: 2-[2-(4-morpholinyl)ethylthio]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide IUPAC Name: 2-(2-morpholin-4-ylethylsulfanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-2-(2-morpholinoethylthio)acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COCCN1CCSCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3S/c27-20(15-30-13-10-26-8-11-29-12-9-26)23-17-5-3-4-16(14-17)21-18-6-1-2-7-19(18)22(28)25-24-21/h1-7,14H,8-13,15H2,(H,23,27)(H,25,28)