2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-iodophenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-iodophenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4-iodophenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4-iodophenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4-iodophenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4-iodophenyl)benzamide Formula: C25H27IN2O2S MolecularWeight: 546.46355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)I

InChI

InChI=1S/C25H27IN2O2S/c26-19-5-7-20(8-6-19)27-24(30)21-3-1-2-4-22(21)31-15-23(29)28-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,16-18H,9-15H2,(H,27,30)(H,28,29)