sodium (2-azanylethylcarbamothioylamino)methanesulfonate

Systemtic Name: sodium (2-azanylethylcarbamothioylamino)methanesulfonate Openeye Name: sodium (2-aminoethylcarbamothioylamino)methanesulfonate CAS Name: sodium [[(2-aminoethylamino)-sulfanylidenemethyl]amino]methanesulfonate IUPAC Name: sodium (2-aminoethylcarbamothioylamino)methanesulfonate Traditional Name: sodium (2-aminoethylthiocarbamoylamino)methanesulfonate Formula: C4H10N3NaO3S2 MolecularWeight: 235.26027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=S)NCS(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C(CNC(=S)NCS(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C4H11N3O3S2.Na/c5-1-2-6-4(11)7-3-12(8,9)10;/h1-3,5H2,(H2,6,7,11)(H,8,9,10);/q;+1/p-1