2-[4-[3-[(2-nitrophenyl)carbamothioylamino]propyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-[(2-nitrophenyl)carbamothioylamino]propyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-[(2-nitrophenyl)carbamothioylamino]propyl]-5-oxo-2-thioxo-imidazolidin-1-yl]acetic acid CAS Name: 2-[4-[3-[[(2-nitroanilino)-sulfanylidenemethyl]amino]propyl]-5-oxo-2-sulfanylidene-1-imidazolidinyl]acetic acid IUPAC Name: 2-[4-[3-[(2-nitrophenyl)carbamothioylamino]propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]acetic acid Traditional Name: 2-[5-keto-4-[3-[(2-nitrophenyl)thiocarbamoylamino]propyl]-2-thioxo-imidazolidin-1-yl]acetic acid Formula: C15H17N5O5S2 MolecularWeight: 411.45598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NCCCC2C(=O)N(C(=S)N2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NCCCC2C(=O)N(C(=S)N2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O5S2/c21-12(22)8-19-13(23)10(18-15(19)27)5-3-7-16-14(26)17-9-4-1-2-6-11(9)20(24)25/h1-2,4,6,10H,3,5,7-8H2,(H,18,27)(H,21,22)(H2,16,17,26)