N-(1-adamantylcarbamothioyl)-2-bromanyl-3,5-bis(iodanyl)benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-2-bromanyl-3,5-bis(iodanyl)benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-2-bromo-3,5-diiodo-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2-bromo-3,5-diiodobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-2-bromo-3,5-diiodobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-2-bromo-3,5-diiodo-benzamide Formula: C18H19BrI2N2OS MolecularWeight: 645.1342

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC(=CC(=C4Br)I)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC(=CC(=C4Br)I)I

InChI

InChI=1S/C18H19BrI2N2OS/c19-15-13(4-12(20)5-14(15)21)16(24)22-17(25)23-18-6-9-1-10(7-18)3-11(2-9)8-18/h4-5,9-11H,1-3,6-8H2,(H2,22,23,24,25)