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

Systemtic Name: 2-[[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[[2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C20H28N4O2S MolecularWeight: 388.52692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)NC2(CCCCCC2)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)NC2(CCCCCC2)C#N

InChI

InChI=1S/C20H28N4O2S/c1-24(13-18(25)22-16-9-5-6-10-17(16)27-2)14-19(26)23-20(15-21)11-7-3-4-8-12-20/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3,(H,22,25)(H,23,26)