1-(1-adamantyl)-3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]urea

Systemtic Name: 1-(1-adamantyl)-3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]urea Openeye Name: 1-(1-adamantyl)-3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]urea CAS Name: 1-(1-adamantyl)-3-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]urea IUPAC Name: 1-(1-adamantyl)-3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]urea Traditional Name: 1-(1-adamantyl)-3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]urea Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28ClN3O3/c1-12-3-17(4-13(2)19(12)22)28-11-18(26)24-25-20(27)23-21-8-14-5-15(9-21)7-16(6-14)10-21/h3-4,14-16H,5-11H2,1-2H3,(H,24,26)(H2,23,25,27)