2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[2-(2-thienyl)ethyl]benzamide Formula: C25H30N2O2S2 MolecularWeight: 454.6479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCCC5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCCC5=CC=CS5

InChI

InChI=1S/C25H30N2O2S2/c28-23(27-25-13-17-10-18(14-25)12-19(11-17)15-25)16-31-22-6-2-1-5-21(22)24(29)26-8-7-20-4-3-9-30-20/h1-6,9,17-19H,7-8,10-16H2,(H,26,29)(H,27,28)