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

Systemtic Name: (2S)-N-ethyl-2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[(4-phenylphthalazin-1-yl)thio]acetyl]amino]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-3-22-20(27)14(2)23-18(26)13-28-21-17-12-8-7-11-16(17)19(24-25-21)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,22,27)(H,23,26)/t14-/m0/s1