2-[3-[3-[(2-nitrophenyl)sulfanylcarbamoylamino]propyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[3-[(2-nitrophenyl)sulfanylcarbamoylamino]propyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]ethanoic acid Openeye Name: 2-[3-[3-[(2-nitrophenyl)sulfanylcarbamoylamino]propyl]-5-oxo-2-thioxo-imidazolidin-1-yl]acetic acid CAS Name: 2-[3-[3-[[[[(2-nitrophenyl)thio]amino]-oxomethyl]amino]propyl]-5-oxo-2-sulfanylidene-1-imidazolidinyl]acetic acid IUPAC Name: 2-[3-[3-[(2-nitrophenyl)sulfanylcarbamoylamino]propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]acetic acid Traditional Name: 2-[5-keto-3-[3-[[(2-nitrophenyl)thio]carbamoylamino]propyl]-2-thioxo-imidazolidin-1-yl]acetic acid Formula: C15H17N5O6S2 MolecularWeight: 427.45538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=S)N1CCCNC(=O)NSC2=CC=CC=C2[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1C(=O)N(C(=S)N1CCCNC(=O)NSC2=CC=CC=C2[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C15H17N5O6S2/c21-12-8-18(15(27)19(12)9-13(22)23)7-3-6-16-14(24)17-28-11-5-2-1-4-10(11)20(25)26/h1-2,4-5H,3,6-9H2,(H,22,23)(H2,16,17,24)