3-[(2-sulfanylideneimidazolidin-1-yl)methylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(2-sulfanylideneimidazolidin-1-yl)methylcarbamothioylamino]benzoic acid Openeye Name: 3-[(2-thioxoimidazolidin-1-yl)methylcarbamothioylamino]benzoic acid CAS Name: 3-[[sulfanylidene-[(2-sulfanylidene-1-imidazolidinyl)methylamino]methyl]amino]benzoic acid IUPAC Name: 3-[(2-sulfanylideneimidazolidin-1-yl)methylcarbamothioylamino]benzoic acid Traditional Name: 3-[(2-thioxoimidazolidin-1-yl)methylthiocarbamoylamino]benzoic acid Formula: C12H14N4O2S2 MolecularWeight: 310.39516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N1)CNC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CN(C(=S)N1)CNC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H14N4O2S2/c17-10(18)8-2-1-3-9(6-8)15-11(19)14-7-16-5-4-13-12(16)20/h1-3,6H,4-5,7H2,(H,13,20)(H,17,18)(H2,14,15,19)