1-ethyl-3-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-[(5S,7R)-3-(p-tolyl)-1-adamantyl]thiazol-2-yl]urea CAS Name: 1-ethyl-3-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-thiazolyl]urea IUPAC Name: 1-ethyl-3-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-[(5S,7R)-3-(p-tolyl)-1-adamantyl]thiazol-2-yl]urea Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC(=CS1)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

Isomeric SMILES

CCNC(=O)NC1=NC(=CS1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=C(C=C5)C

InChI

InChI=1S/C23H29N3OS/c1-3-24-20(27)26-21-25-19(13-28-21)23-11-16-8-17(12-23)10-22(9-16,14-23)18-6-4-15(2)5-7-18/h4-7,13,16-17H,3,8-12,14H2,1-2H3,(H2,24,25,26,27)/t16-,17+,22?,23?