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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-2-12-22-18(26)13-23-19(27)14-28-21-17-11-7-6-10-16(17)20(24-25-21)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,26)(H,23,27)