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

Systemtic Name: 1-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiourea CAS Name: 1-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]-3-p-cumenyl-thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H23N5O2S/c1-13(2)14-8-10-15(11-9-14)22-21(29)24-23-19(27)12-18-16-6-4-5-7-17(16)20(28)26(3)25-18/h4-11,13H,12H2,1-3H3,(H,23,27)(H2,22,24,29)