4-(2-carboxyethylsulfanylcarbothioylamino)-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-(2-carboxyethylsulfanylcarbothioylamino)-N-oxidanyl-benzeneamine oxide Openeye Name: 4-(2-carboxyethylsulfanylcarbothioylamino)-N-hydroxy-benzeneamine oxide CAS Name: 4-[[(2-carboxyethylthio)-sulfanylidenemethyl]amino]-N-hydroxybenzeneamine oxide IUPAC Name: 4-(2-carboxyethylsulfanylcarbothioylamino)-N-hydroxybenzeneamine oxide Traditional Name: 4-[(2-carboxyethylthio)carbothioylamino]-N-hydroxy-benzeneamine oxide Formula: C10H12N2O4S2 MolecularWeight: 288.34328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)SCCC(=O)O)[NH+](O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)SCCC(=O)O)[NH+](O)[O-]

InChI

InChI=1S/C10H12N2O4S2/c13-9(14)5-6-18-10(17)11-7-1-3-8(4-2-7)12(15)16/h1-4,12,15H,5-6H2,(H,11,17)(H,13,14)