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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC(=C(C=C3)C)C

InChI

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