1-(1-adamantyl)-3-[3-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]propyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]urea Formula: C31H38N4OS MolecularWeight: 514.72462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCN1C(=C(N=C1SCCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H38N4OS/c1-2-35-28(26-12-7-4-8-13-26)27(25-10-5-3-6-11-25)33-30(35)37-15-9-14-32-29(36)34-31-19-22-16-23(20-31)18-24(17-22)21-31/h3-8,10-13,22-24H,2,9,14-21H2,1H3,(H2,32,34,36)