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

Systemtic Name: 1-(2-ethylphenyl)-3-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2-ethylphenyl)-3-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-ethylphenyl)-3-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(2-ethylphenyl)-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(2-ethylphenyl)-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:

CCC1=CC=CC=C1NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

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