1-(2-ethyl-6-methyl-phenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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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

Isomeric SMILES

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

InChI

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