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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C20H20FN5O2S MolecularWeight: 413.468503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

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