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

Systemtic Name: 1-[(E)-(4-bromophenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Openeye Name: 1-[(E)-(4-bromophenyl)methyleneamino]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[(E)-(4-bromophenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea IUPAC Name: 1-[(E)-(4-bromophenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Traditional Name: 1-[(E)-(4-bromobenzylidene)amino]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C25H28BrN3O MolecularWeight: 466.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NN=CC5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)N/N=C/C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H28BrN3O/c1-17-2-6-21(7-3-17)24-11-19-10-20(12-24)14-25(13-19,16-24)28-23(30)29-27-15-18-4-8-22(26)9-5-18/h2-9,15,19-20H,10-14,16H2,1H3,(H2,28,29,30)/b27-15+