[3-(azepan-1-yl)-3-oxidanylidene-propyl] (1Z)-N-(methylcarbamoyloxy)ethanimidothioate

Systemtic Name: [3-(azepan-1-yl)-3-oxidanylidene-propyl] (1Z)-N-(methylcarbamoyloxy)ethanimidothioate Openeye Name: [3-(azepan-1-yl)-3-oxo-propyl] (1Z)-N-(methylcarbamoyloxy)ethanimidothioate CAS Name: (1Z)-N-(methylcarbamoyloxy)ethanimidothioic acid [3-(1-azepanyl)-3-oxopropyl] ester IUPAC Name: [3-(azepan-1-yl)-3-oxopropyl] (1Z)-N-(methylcarbamoyloxy)ethanimidothioate Traditional Name: (1Z)-N-(methylcarbamoyloxy)thioacetimidic acid [3-(azepan-1-yl)-3-keto-propyl] ester Formula: C13H23N3O3S MolecularWeight: 301.40502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)NC)SCCC(=O)N1CCCCCC1

Isomeric SMILES

C/C(=N/OC(=O)NC)/SCCC(=O)N1CCCCCC1

InChI

InChI=1S/C13H23N3O3S/c1-11(15-19-13(18)14-2)20-10-7-12(17)16-8-5-3-4-6-9-16/h3-10H2,1-2H3,(H,14,18)/b15-11-