1-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]-3-p-cumenyl-thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-13(2)15-9-11-16(12-10-15)23-22(30)25-24-20(28)19-17-7-5-6-8-18(17)21(29)27(26-19)14(3)4/h5-14H,1-4H3,(H,24,28)(H2,23,25,30)