N-(2-adamantylcarbamothioyl)-2-(3,4-dimethylphenoxy)ethanamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: N-(2-adamantylcarbamothioyl)-2-(3,4-dimethylphenoxy)acetamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2-(3,4-dimethylphenoxy)acetamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2-(3,4-dimethylphenoxy)acetamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)C

InChI

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