2-(1-adamantyl)-N-[(5-iodanylpyridin-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(5-iodanylpyridin-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(5-iodo-2-pyridyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(5-iodopyridin-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(5-iodo-2-pyridyl)thiocarbamoyl]acetamide Formula: C18H22IN3OS MolecularWeight: 455.35625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22IN3OS/c19-14-1-2-15(20-10-14)21-17(24)22-16(23)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h1-2,10-13H,3-9H2,(H2,20,21,22,23,24)