2-(1-adamantyl)-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-hydroxy-5-isopropyl-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]acetamide Formula: C22H30N2O2S MolecularWeight: 386.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S/c1-13(2)17-3-4-19(25)18(8-17)23-21(27)24-20(26)12-22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,13-16,25H,5-7,9-12H2,1-2H3,(H2,23,24,26,27)