3-[3-(4-bromophenyl)-2-sulfanylidene-imidazolidin-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-bromophenyl)-2-sulfanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-(4-bromophenyl)-2-thioxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-(4-bromophenyl)-2-sulfanylidene-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-(4-bromophenyl)-2-sulfanylideneimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-(4-bromophenyl)-2-thioxo-imidazolidin-1-yl]propionic acid Formula: C12H13BrN2O2S MolecularWeight: 329.21282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N1CCC(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CN(C(=S)N1CCC(=O)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H13BrN2O2S/c13-9-1-3-10(4-2-9)15-8-7-14(12(15)18)6-5-11(16)17/h1-4H,5-8H2,(H,16,17)