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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)N(C)C2(CCCCC2)C#N

InChI

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