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

Systemtic Name: 1-(1-adamantyl)-3-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]propyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]propyl]urea Formula: C32H40N4OS MolecularWeight: 528.7512

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCN1C(=C(N=C1SCCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H40N4OS/c1-2-15-36-29(27-12-7-4-8-13-27)28(26-10-5-3-6-11-26)34-31(36)38-16-9-14-33-30(37)35-32-20-23-17-24(21-32)19-25(18-23)22-32/h3-8,10-13,23-25H,2,9,14-22H2,1H3,(H2,33,35,37)