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

Systemtic Name: 1-butyl-3-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]urea Openeye Name: 1-butyl-3-[4-[(5S,7R)-3-(p-tolyl)-1-adamantyl]thiazol-2-yl]urea CAS Name: 1-butyl-3-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-thiazolyl]urea IUPAC Name: 1-butyl-3-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]urea Traditional Name: 1-butyl-3-[4-[(5S,7R)-3-(p-tolyl)-1-adamantyl]thiazol-2-yl]urea Formula: C25H33N3OS MolecularWeight: 423.61402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3OS/c1-3-4-9-26-22(29)28-23-27-21(15-30-23)25-13-18-10-19(14-25)12-24(11-18,16-25)20-7-5-17(2)6-8-20/h5-8,15,18-19H,3-4,9-14,16H2,1-2H3,(H2,26,27,28,29)/t18-,19+,24?,25?