1-[(2R)-1-methoxypropan-2-yl]-3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]-3-[(1R)-2-methoxy-1-methyl-ethyl]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]-3-[(1R)-2-methoxy-1-methyl-ethyl]thiourea Formula: C18H25N5O3S MolecularWeight: 391.4878

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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)COC

Isomeric SMILES

C[C@H](COC)NC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(C)C

InChI

InChI=1S/C18H25N5O3S/c1-11(2)9-23-17(25)14-8-6-5-7-13(14)15(22-23)16(24)20-21-18(27)19-12(3)10-26-4/h5-8,11-12H,9-10H2,1-4H3,(H,20,24)(H2,19,21,27)/t12-/m1/s1