2-(1-adamantyl)-N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-hydroxy-3,5-dimethyl-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(2-hydroxy-3,5-dimethylanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-hydroxy-3,5-dimethyl-phenyl)thiocarbamoyl]acetamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)O)C

InChI

InChI=1S/C21H28N2O2S/c1-12-3-13(2)19(25)17(4-12)22-20(26)23-18(24)11-21-8-14-5-15(9-21)7-16(6-14)10-21/h3-4,14-16,25H,5-11H2,1-2H3,(H2,22,23,24,26)