N-(1-adamantylcarbamothioyl)-2-(2,4-dimethylphenoxy)ethanamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-2-(2,4-dimethylphenoxy)ethanamide Openeye Name: N-(1-adamantylcarbamothioyl)-2-(2,4-dimethylphenoxy)acetamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2-(2,4-dimethylphenoxy)acetamide IUPAC Name: N-(1-adamantylcarbamothioyl)-2-(2,4-dimethylphenoxy)acetamide Traditional Name: N-(1-adamantylthiocarbamoyl)-2-(2,4-dimethylphenoxy)acetamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)C

InChI

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