1-ethyl-1-(4-methylphenyl)sulfanyl-urea; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-ethyl-1-(4-methylphenyl)sulfanyl-urea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-ethyl-1-(p-tolylsulfanyl)urea citrate CAS Name: 1-ethyl-1-[(4-methylphenyl)thio]urea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-ethyl-1-(4-methylphenyl)sulfanylurea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-ethyl-1-(p-tolylthio)urea citrate Formula: C16H19N2O8S-3 MolecularWeight: 399.39566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)N)SC1=CC=C(C=C1)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(C(=O)N)SC1=CC=C(C=C1)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C10H14N2OS.C6H8O7/c1-3-12(10(11)13)14-9-6-4-8(2)5-7-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-7H,3H2,1-2H3,(H2,11,13);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3