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

Systemtic Name: 1-(4-methoxyphenyl)-3-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(4-methoxyphenyl)thiourea CAS Name: 1-(4-methoxyphenyl)-3-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]-3-(4-methoxyphenyl)thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N5O3S/c1-12(2)25-19(27)16-7-5-4-6-15(16)17(24-25)18(26)22-23-20(29)21-13-8-10-14(28-3)11-9-13/h4-12H,1-3H3,(H,22,26)(H2,21,23,29)