diethyl-[2-[[4-(2-phthalazin-1-ylsulfanylethanoylamino)phenyl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[4-(2-phthalazin-1-ylsulfanylethanoylamino)phenyl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[oxo-[4-[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]phenyl]methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[4-[[2-(phthalazin-1-ylthio)acetyl]amino]benzoyl]amino]ethyl]ammonium Formula: C23H28N5O2S+ MolecularWeight: 438.56572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C23H27N5O2S/c1-3-28(4-2)14-13-24-22(30)17-9-11-19(12-10-17)26-21(29)16-31-23-20-8-6-5-7-18(20)15-25-27-23/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,24,30)(H,26,29)/p+1