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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C20H21N5O2S/c1-4-25-19(27)15-10-6-5-9-14(15)17(24-25)18(26)22-23-20(28)21-16-11-7-8-12(2)13(16)3/h5-11H,4H2,1-3H3,(H,22,26)(H2,21,23,28)