N-(2-adamantylcarbamothioyl)-3-iodanyl-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3-iodanyl-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3-iodo-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3-iodobenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-3-iodo-benzamide Formula: C18H21IN2OS MolecularWeight: 440.34161

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=CC=C4)I

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C18H21IN2OS/c19-15-3-1-2-12(9-15)17(22)21-18(23)20-16-13-5-10-4-11(7-13)8-14(16)6-10/h1-3,9-11,13-14,16H,4-8H2,(H2,20,21,22,23)