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

Systemtic Name: 1-tert-butyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O2S/c1-14(2,3)15-13(22)19-18-12(21)10-8-6-4-5-7-9(8)11(20)17-16-10/h4-7H,1-3H3,(H,17,20)(H,18,21)(H2,15,19,22)