1-[2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[2-(1,4-dioxo-3H-phthalazin-2-yl)-1-oxoethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[2-(1,4-diketo-3H-phthalazin-2-yl)acetyl]amino]-3-p-cumenyl-thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H21N5O3S/c1-12(2)13-7-9-14(10-8-13)21-20(29)23-22-17(26)11-25-19(28)16-6-4-3-5-15(16)18(27)24-25/h3-10,12H,11H2,1-2H3,(H,22,26)(H,24,27)(H2,21,23,29)