1-(4-ethoxyphenyl)-3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]-3-p-phenetyl-thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C20H21N5O3S/c1-3-25-19(27)16-8-6-5-7-15(16)17(24-25)18(26)22-23-20(29)21-13-9-11-14(12-10-13)28-4-2/h5-12H,3-4H2,1-2H3,(H,22,26)(H2,21,23,29)