3-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-[(2S)-1-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide

Systemtic Name: 3-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-[(2S)-1-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide Openeye Name: 3-(3-methyl-4-oxo-phthalazin-1-yl)-N-[(1S)-1-methyl-2-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]ethyl]propanamide CAS Name: 3-(3-methyl-4-oxo-1-phthalazinyl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide IUPAC Name: 3-(3-methyl-4-oxophthalazin-1-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide Traditional Name: 3-(4-keto-3-methyl-phthalazin-1-yl)-N-[(1S)-2-[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]-1-methyl-ethyl]propionamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)OC(=N1)C2=CC=CS2)NC(=O)CCC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

C[C@@H](CN1C(=O)OC(=N1)C2=CC=CS2)NC(=O)CCC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H21N5O4S/c1-13(12-26-21(29)30-19(24-26)17-8-5-11-31-17)22-18(27)10-9-16-14-6-3-4-7-15(14)20(28)25(2)23-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)/t13-/m0/s1