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

Systemtic Name: 2-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[2-(azepan-1-yl)-2-oxo-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)N2CCCCCC2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)N2CCCCCC2

InChI

InChI=1S/C18H27N3O2S/c1-20(14-18(23)21-11-7-3-4-8-12-21)13-17(22)19-15-9-5-6-10-16(15)24-2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3,(H,19,22)