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

Systemtic Name: 1-tert-butyl-3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-11(2)10-23-16(25)13-9-7-6-8-12(13)14(22-23)15(24)20-21-17(26)19-18(3,4)5/h6-9,11H,10H2,1-5H3,(H,20,24)(H2,19,21,26)