1-(3,5-dimethylphenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]thiourea Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O2S/c1-11-8-12(2)10-13(9-11)20-19(27)22-21-17(25)16-14-6-4-5-7-15(14)18(26)24(3)23-16/h4-10H,1-3H3,(H,21,25)(H2,20,22,27)