N-(1-adamantylcarbamothioyl)-2,5-bis(iodanyl)benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-2,5-bis(iodanyl)benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-2,5-diiodo-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2,5-diiodobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-2,5-diiodobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-2,5-diiodo-benzamide Formula: C18H20I2N2OS MolecularWeight: 566.23814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20I2N2OS/c19-13-1-2-15(20)14(6-13)16(23)21-17(24)22-18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H2,21,22,23,24)