1-[3-(4-methylphenyl)-1-adamantyl]-3-[4-(phenoxymethyl)-1,3-thiazol-2-yl]urea

Systemtic Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[4-(phenoxymethyl)-1,3-thiazol-2-yl]urea Openeye Name: 1-[4-(phenoxymethyl)thiazol-2-yl]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[4-(phenoxymethyl)-2-thiazolyl]urea IUPAC Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[4-(phenoxymethyl)-1,3-thiazol-2-yl]urea Traditional Name: 1-[4-(phenoxymethyl)thiazol-2-yl]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NC5=NC(=CS5)COC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NC5=NC(=CS5)COC6=CC=CC=C6

InChI

InChI=1S/C28H31N3O2S/c1-19-7-9-22(10-8-19)27-12-20-11-21(13-27)15-28(14-20,18-27)31-25(32)30-26-29-23(17-34-26)16-33-24-5-3-2-4-6-24/h2-10,17,20-21H,11-16,18H2,1H3,(H2,29,30,31,32)