1-(2-fluorophenyl)-3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea

Systemtic Name: 1-(2-fluorophenyl)-3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-(2-fluorophenyl)-3-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-fluorophenyl)-3-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(2-fluorophenyl)-3-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-(2-fluorophenyl)-3-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C20H20FN5O2S MolecularWeight: 413.468503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H20FN5O2S/c1-12(2)11-26-19(28)14-8-4-3-7-13(14)17(25-26)18(27)23-24-20(29)22-16-10-6-5-9-15(16)21/h3-10,12H,11H2,1-2H3,(H,23,27)(H2,22,24,29)