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

Systemtic Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-[4-(phenoxymethyl)-1,3-thiazol-2-yl]urea Openeye Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-[4-(phenoxymethyl)thiazol-2-yl]urea CAS Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-[4-(phenoxymethyl)-2-thiazolyl]urea IUPAC Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-[4-(phenoxymethyl)-1,3-thiazol-2-yl]urea Traditional Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-[4-(phenoxymethyl)thiazol-2-yl]urea Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=NC(=CS4)COC5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=NC(=CS4)COC5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O4S/c32-24(29-25-28-21(16-36-25)15-35-23-4-2-1-3-5-23)30-27-13-18-10-19(14-27)12-26(11-18,17-27)20-6-8-22(9-7-20)31(33)34/h1-9,16,18-19H,10-15,17H2,(H2,28,29,30,32)