(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(4-morpholinophenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide CAS Name: (2S)-N-[4-(4-morpholinyl)phenyl]-2-[(4-phenyl-1-phthalazinyl)thio]propanamide IUPAC Name: (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide Traditional Name: (2S)-N-(4-morpholinophenyl)-2-[(4-phenylphthalazin-1-yl)thio]propionamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c1-19(26(32)28-21-11-13-22(14-12-21)31-15-17-33-18-16-31)34-27-24-10-6-5-9-23(24)25(29-30-27)20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3,(H,28,32)/t19-/m0/s1