3-[hexylcarbamothioyl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: 3-[hexylcarbamothioyl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate Openeye Name: 3-[hexylcarbamothioyl-(3-oxido-3-oxo-propyl)amino]propanoate CAS Name: 3-[[(hexylamino)-sulfanylidenemethyl]-(3-oxido-3-oxopropyl)amino]propanoate IUPAC Name: 3-[hexylcarbamothioyl-(3-oxido-3-oxopropyl)amino]propanoate Traditional Name: 3-[hexylthiocarbamoyl-(3-keto-3-oxido-propyl)amino]propionate Formula: C13H22N2O4S-2 MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N(CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CCCCCCNC(=S)N(CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C13H24N2O4S/c1-2-3-4-5-8-14-13(20)15(9-6-11(16)17)10-7-12(18)19/h2-10H2,1H3,(H,14,20)(H,16,17)(H,18,19)/p-2