2-(1-adamantyl)-N-[(4-ethanoylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-ethanoylphenyl)carbamothioyl]ethanamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-2-(1-adamantyl)acetamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-2-(1-adamantyl)acetamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-2-(1-adamantyl)acetamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-2-(1-adamantyl)acetamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-13(24)17-2-4-18(5-3-17)22-20(26)23-19(25)12-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H2,22,23,25,26)