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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCN1C(=C(N=C1SCCCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

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