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

Systemtic Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-(1,3-thiazol-2-yl)urea Openeye Name: 1-[3-(p-tolyl)-1-adamantyl]-3-thiazol-2-yl-urea CAS Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-(2-thiazolyl)urea IUPAC Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-(1,3-thiazol-2-yl)urea Traditional Name: 1-[3-(p-tolyl)-1-adamantyl]-3-thiazol-2-yl-urea Formula: C21H25N3OS MolecularWeight: 367.5077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-14-2-4-17(5-3-14)20-9-15-8-16(10-20)12-21(11-15,13-20)24-18(25)23-19-22-6-7-26-19/h2-7,15-16H,8-13H2,1H3,(H2,22,23,24,25)