4-[2-(3-methylsulfanylpropylcarbamothioyl)hydrazinyl]benzoic acid

Systemtic Name: 4-[2-(3-methylsulfanylpropylcarbamothioyl)hydrazinyl]benzoic acid Openeye Name: 4-[2-(3-methylsulfanylpropylcarbamothioyl)hydrazino]benzoic acid CAS Name: 4-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 4-[2-(3-methylsulfanylpropylcarbamothioyl)hydrazinyl]benzoic acid Traditional Name: 4-[N'-[3-(methylthio)propylthiocarbamoyl]hydrazino]benzoic acid Formula: C12H17N3O2S2 MolecularWeight: 299.41228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CSCCCNC(=S)NNC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H17N3O2S2/c1-19-8-2-7-13-12(18)15-14-10-5-3-9(4-6-10)11(16)17/h3-6,14H,2,7-8H2,1H3,(H,16,17)(H2,13,15,18)