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

Systemtic Name: 1-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenoxy)methyl]urea Openeye Name: 1-[4-(1-adamantyl)thiazol-2-yl]-3-[(4-methoxyphenoxy)methyl]urea CAS Name: 1-[4-(1-adamantyl)-2-thiazolyl]-3-[(4-methoxyphenoxy)methyl]urea IUPAC Name: 1-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenoxy)methyl]urea Traditional Name: 1-[4-(1-adamantyl)thiazol-2-yl]-3-[(4-methoxyphenoxy)methyl]urea Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCNC(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)OCNC(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O3S/c1-27-17-2-4-18(5-3-17)28-13-23-20(26)25-21-24-19(12-29-21)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,12,14-16H,6-11,13H2,1H3,(H2,23,24,25,26)