2-(1-adamantyl)-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)thiocarbamoyl]acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H28N4O2S/c1-15-4-5-19(24-30-23-21(32-24)3-2-6-27-23)10-20(15)28-25(33)29-22(31)14-26-11-16-7-17(12-26)9-18(8-16)13-26/h2-6,10,16-18H,7-9,11-14H2,1H3,(H2,28,29,31,33)