1-(1-adamantyl)-3-[5-(2-methylbutan-2-yl)-2-oxidanyl-phenyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[5-(2-methylbutan-2-yl)-2-oxidanyl-phenyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[5-(1,1-dimethylpropyl)-2-hydroxy-phenyl]thiourea CAS Name: 1-(1-adamantyl)-3-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]thiourea Traditional Name: 1-(1-adamantyl)-3-(5-tert-amyl-2-hydroxy-phenyl)thiourea Formula: C22H32N2OS MolecularWeight: 372.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)O)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)O)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2OS/c1-4-21(2,3)17-5-6-19(25)18(10-17)23-20(26)24-22-11-14-7-15(12-22)9-16(8-14)13-22/h5-6,10,14-16,25H,4,7-9,11-13H2,1-3H3,(H2,23,24,26)