(2S)-2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(4-phenylphthalazin-1-yl)thio]acetyl]amino]-N-propyl-propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-3-13-23-21(28)15(2)24-19(27)14-29-22-18-12-8-7-11-17(18)20(25-26-22)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,28)(H,24,27)/t15-/m0/s1