2-(1-adamantyl)-N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]acetamide Formula: C23H31ClN2O2S MolecularWeight: 435.02244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31ClN2O2S/c1-22(2,3)16-7-17(24)20(28)18(8-16)25-21(29)26-19(27)12-23-9-13-4-14(10-23)6-15(5-13)11-23/h7-8,13-15,28H,4-6,9-12H2,1-3H3,(H2,25,26,27,29)