tert-butyl N-[3-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamothioylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamothioylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamothioylamino]propyl]carbamate CAS Name: N-[3-[[[3-(4-oxo-3H-phthalazin-1-yl)anilino]-sulfanylidenemethyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamothioylamino]propyl]carbamate Traditional Name: N-[3-[[3-(4-keto-3H-phthalazin-1-yl)phenyl]thiocarbamoylamino]propyl]carbamic acid tert-butyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC(=S)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC(=S)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C23H27N5O3S/c1-23(2,3)31-22(30)25-13-7-12-24-21(32)26-16-9-6-8-15(14-16)19-17-10-4-5-11-18(17)20(29)28-27-19/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,25,30)(H,28,29)(H2,24,26,32)