3-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]propanethioamide

Systemtic Name: 3-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]propanethioamide Openeye Name: 3-[[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-methyl-amino]propanethioamide CAS Name: 3-[[1-(1-azepanyl)-1-oxopropan-2-yl]-methylamino]propanethioamide IUPAC Name: 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-methylamino]propanethioamide Traditional Name: 3-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-methyl-amino]thiopropionamide Formula: C13H25N3OS MolecularWeight: 271.4221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N(C)CCC(=S)N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N(C)CCC(=S)N

InChI

InChI=1S/C13H25N3OS/c1-11(15(2)10-7-12(14)18)13(17)16-8-5-3-4-6-9-16/h11H,3-10H2,1-2H3,(H2,14,18)