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

Systemtic Name: 1-(4-butylphenyl)-3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H25N5O2S/c1-3-4-7-15-10-12-16(13-11-15)23-22(30)25-24-20(28)14-19-17-8-5-6-9-18(17)21(29)27(2)26-19/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,24,28)(H2,23,25,30)