1-(2,5-dimethylphenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O2S/c1-10-7-8-11(2)14(9-10)19-18(26)23-22-17(25)15-12-5-3-4-6-13(12)16(24)21-20-15/h3-9H,1-2H3,(H,21,24)(H,22,25)(H2,19,23,26)