2,4-bis(oxidanylidene)pentan-3-yl N-(azepan-1-yl)carbamodithioate

Systemtic Name: 2,4-bis(oxidanylidene)pentan-3-yl N-(azepan-1-yl)carbamodithioate Openeye Name: (1-acetyl-2-oxo-propyl) N-(azepan-1-yl)carbamodithioate CAS Name: N-(1-azepanyl)carbamodithioic acid 2,4-dioxopentan-3-yl ester IUPAC Name: 2,4-dioxopentan-3-yl N-(azepan-1-yl)carbamodithioate Traditional Name: N-(azepan-1-yl)carbamodithioic acid (1-acetyl-2-keto-propyl) ester Formula: C12H20N2O2S2 MolecularWeight: 288.4294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC(=S)NN1CCCCCC1

Isomeric SMILES

CC(=O)C(C(=O)C)SC(=S)NN1CCCCCC1

InChI

InChI=1S/C12H20N2O2S2/c1-9(15)11(10(2)16)18-12(17)13-14-7-5-3-4-6-8-14/h11H,3-8H2,1-2H3,(H,13,17)