tert-butyl N-[[4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamothioylamino]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamothioylamino]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamothioylamino]phenyl]methyl]carbamate CAS Name: N-[[4-[[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]-sulfanylidenemethyl]amino]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamothioylamino]phenyl]methyl]carbamate Traditional Name: N-[4-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylthiocarbamoylamino]benzyl]carbamic acid tert-butyl ester Formula: C24H30N6O3S MolecularWeight: 482.5984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C24H30N6O3S/c1-24(2,3)33-23(32)27-15-16-9-11-17(12-10-16)28-22(34)26-14-6-13-25-20-18-7-4-5-8-19(18)21(31)30-29-20/h4-5,7-12H,6,13-15H2,1-3H3,(H,25,29)(H,27,32)(H,30,31)(H2,26,28,34)