1-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]-3-p-cumenyl-thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-4-13-27-21(29)18-8-6-5-7-17(18)19(26-27)20(28)24-25-22(30)23-16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,24,28)(H2,23,25,30)