2-(1-adamantyl)-N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]acetamide Formula: C20H22F3IN2OS MolecularWeight: 522.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=C(C=C(C=C4)I)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=C(C=C(C=C4)I)C(F)(F)F

InChI

InChI=1S/C20H22F3IN2OS/c21-20(22,23)15-6-14(24)1-2-16(15)25-18(28)26-17(27)10-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H2,25,26,27,28)