2-[[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[2-(1-adamantylamino)-2-oxo-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C22H31N3O2S MolecularWeight: 401.56544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31N3O2S/c1-25(13-20(26)23-18-5-3-4-6-19(18)28-2)14-21(27)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,7-14H2,1-2H3,(H,23,26)(H,24,27)