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

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-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:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)F

InChI

InChI=1S/C20H20FN5O2S/c1-11(2)26-19(28)15-7-5-4-6-14(15)17(25-26)18(27)23-24-20(29)22-13-9-8-12(3)16(21)10-13/h4-11H,1-3H3,(H,23,27)(H2,22,24,29)