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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C

InChI

InChI=1S/C21H23N5O2S/c1-12(2)26-20(28)16-10-6-5-9-15(16)18(25-26)19(27)23-24-21(29)22-17-11-7-8-13(3)14(17)4/h5-12H,1-4H3,(H,23,27)(H2,22,24,29)