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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=CC(=C4Br)I)I

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=CC(=C4Br)I)I

InChI

InChI=1S/C18H19BrI2N2OS/c19-15-13(6-12(20)7-14(15)21)17(24)23-18(25)22-16-10-2-8-1-9(4-10)5-11(16)3-8/h6-11,16H,1-5H2,(H2,22,23,24,25)