1-(2-ethyl-6-methyl-phenyl)-3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C)C

InChI

InChI=1S/C21H23N5O2S/c1-4-14-9-7-8-13(2)19(14)22-21(29)24-23-18(27)12-17-15-10-5-6-11-16(15)20(28)26(3)25-17/h5-11H,4,12H2,1-3H3,(H,23,27)(H2,22,24,29)