1-tert-butyl-3-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-20(2,3)21-19(28)23-22-17(26)16-14-11-7-8-12-15(14)18(27)25(24-16)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,22,26)(H2,21,23,28)