1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(4-octoxyphenyl)methylideneamino]urea

Systemtic Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(4-octoxyphenyl)methylideneamino]urea Openeye Name: 1-[(E)-(4-octoxyphenyl)methyleneamino]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(4-octoxyphenyl)methylideneamino]urea IUPAC Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(4-octoxyphenyl)methylideneamino]urea Traditional Name: 1-[(E)-(4-octoxybenzylidene)amino]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C33H45N3O2 MolecularWeight: 515.7293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=NNC(=O)NC23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=N/NC(=O)NC23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H45N3O2/c1-3-4-5-6-7-8-17-38-30-15-11-26(12-16-30)23-34-36-31(37)35-33-21-27-18-28(22-33)20-32(19-27,24-33)29-13-9-25(2)10-14-29/h9-16,23,27-28H,3-8,17-22,24H2,1-2H3,(H2,35,36,37)/b34-23+