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

Systemtic Name: 3-[2,7-bis(oxidanylidene)azepan-1-yl]propanethioamide Openeye Name: 3-(2,7-dioxoazepan-1-yl)propanethioamide CAS Name: 3-(2,7-dioxo-1-azepanyl)propanethioamide IUPAC Name: 3-(2,7-dioxoazepan-1-yl)propanethioamide Traditional Name: 3-(2,7-diketoazepan-1-yl)thiopropionamide Formula: C9H14N2O2S MolecularWeight: 214.28466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CCC(=S)N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CCC(=S)N

InChI

InChI=1S/C9H14N2O2S/c10-7(14)5-6-11-8(12)3-1-2-4-9(11)13/h1-6H2,(H2,10,14)