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

Systemtic Name: 1-(3-methylphenyl)-3-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(m-tolyl)thiourea CAS Name: 1-(3-methylphenyl)-3-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]-3-(m-tolyl)thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-12(2)25-19(27)16-10-5-4-9-15(16)17(24-25)18(26)22-23-20(28)21-14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H,22,26)(H2,21,23,28)