sodium; 2-azanyl-3-methyl-3-sulfanyl-butanoic acid; propanedithioate; 1H-quinoline-2-thione

Systemtic Name: sodium; 2-azanyl-3-methyl-3-sulfanyl-butanoic acid; propanedithioate; 1H-quinoline-2-thione Openeye Name: sodium; 2-amino-3-methyl-3-sulfanyl-butanoic acid; propanedithioate; 1H-quinoline-2-thione CAS Name: sodium; 2-amino-3-mercapto-3-methylbutanoic acid; propanedithioate; 1H-quinoline-2-thione IUPAC Name: sodium; 2-amino-3-methyl-3-sulfanylbutanoic acid; propanedithioate; 1H-quinoline-2-thione Traditional Name: sodium; 2-amino-3-mercapto-3-methyl-butyric acid; propanedithioate; 1H-quinoline-2-thione Formula: C17H23N2NaO2S4 MolecularWeight: 438.62649

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)[S-].CC(C)(C(C(=O)O)N)S.C1=CC=C2C(=C1)C=CC(=S)N2.[Na+]

Isomeric SMILES

CCC(=S)[S-].CC(C)(C(C(=O)O)N)S.C1=CC=C2C(=C1)C=CC(=S)N2.[Na+]

InChI

InChI=1S/C9H7NS.C5H11NO2S.C3H6S2.Na/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-5(2,9)3(6)4(7)8;1-2-3(4)5;/h1-6H,(H,10,11);3,9H,6H2,1-2H3,(H,7,8);2H2,1H3,(H,4,5);/q;;;+1/p-1