3-[2,7-bis(oxidanylidene)azepan-1-yl]-2-methyl-propanethioamide

Systemtic Name: 3-[2,7-bis(oxidanylidene)azepan-1-yl]-2-methyl-propanethioamide Openeye Name: 3-(2,7-dioxoazepan-1-yl)-2-methyl-propanethioamide CAS Name: 3-(2,7-dioxo-1-azepanyl)-2-methylpropanethioamide IUPAC Name: 3-(2,7-dioxoazepan-1-yl)-2-methylpropanethioamide Traditional Name: 3-(2,7-diketoazepan-1-yl)-2-methyl-thiopropionamide Formula: C10H16N2O2S MolecularWeight: 228.31124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)CCCCC1=O)C(=S)N

Isomeric SMILES

CC(CN1C(=O)CCCCC1=O)C(=S)N

InChI

InChI=1S/C10H16N2O2S/c1-7(10(11)15)6-12-8(13)4-2-3-5-9(12)14/h7H,2-6H2,1H3,(H2,11,15)